# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/1f0e053c-0736-4449-8faa-e0bc7cfaa381/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for KNa2BO3 / Pmmn (59) / materials id 8263](https://mdr.nims.go.jp/datasets/3acbb0b6-a721-4afb-ad85-d60bec997d37) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:49:18]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmmn (59)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 5.601453290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.018686920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.584088519999999Atomic positions (fractional): *1 B 0.50000000000000 0.00000000000000 0.79560264774590 10.811 2 B 0.00000000000000 0.50000000000000 0.20439735225410 10.811 *3 O 0.28683026484896 0.00000000000000 0.66444533483611 15.999 4 O 0.21316973515105 0.50000000000000 0.33555466516389 15.999 *5 O 0.50000000000000 0.00000000000000 0.04378604871774 15.999 6 O 0.00000000000000 0.50000000000000 0.95621395128226 15.999 7 O 0.78683026484896 0.50000000000000 0.33555466516389 15.999 8 O 0.71316973515104 0.00000000000000 0.66444533483611 15.999 *9 Na 0.50000000000000 0.77061580803129 0.37367054840323 22.990 10 Na 0.50000000000000 0.22938419196871 0.37367054840323 22.990 11 Na 0.00000000000000 0.72938419196871 0.62632945159677 22.990 12 Na 0.00000000000000 0.27061580803129 0.62632945159677 22.990 *13 K 0.50000000000000 0.50000000000000 0.92172717999056 39.098 14 K 0.00000000000000 0.00000000000000 0.07827282000944 39.098-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.601453290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.018686920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.584088519999999Atomic positions (fractional): *1 B 0.50000000000000 0.00000000000000 0.79560264774590 10.811 > 1 2 B 0.00000000000000 0.50000000000000 0.20439735225410 10.811 > 2 *3 O 0.28683026484896 0.00000000000000 0.66444533483611 15.999 > 3 4 O 0.21316973515105 0.50000000000000 0.33555466516389 15.999 > 4 *5 O 0.50000000000000 0.00000000000000 0.04378604871774 15.999 > 5 6 O 0.00000000000000 0.50000000000000 0.95621395128226 15.999 > 6 7 O 0.78683026484896 0.50000000000000 0.33555466516389 15.999 > 7 8 O 0.71316973515104 0.00000000000000 0.66444533483611 15.999 > 8 *9 Na 0.50000000000000 0.77061580803129 0.37367054840323 22.990 > 9 10 Na 0.50000000000000 0.22938419196871 0.37367054840323 22.990 > 10 11 Na 0.00000000000000 0.72938419196871 0.62632945159677 22.990 > 11 12 Na 0.00000000000000 0.27061580803129 0.62632945159677 22.990 > 12 *13 K 0.50000000000000 0.50000000000000 0.92172717999056 39.098 > 13 14 K 0.00000000000000 0.00000000000000 0.07827282000944 39.098 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 11.202906580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.037373840000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.168177039999998Atomic positions (fractional): *1 B 0.25000000000000 0.00000000000000 0.39780132387295 10.811 > 1 2 B 0.75000000000000 0.00000000000000 0.39780132387295 10.811 > 1 3 B 0.25000000000000 0.50000000000000 0.39780132387295 10.811 > 1 4 B 0.75000000000000 0.50000000000000 0.39780132387295 10.811 > 1 5 B 0.25000000000000 0.00000000000000 0.89780132387295 10.811 > 1 6 B 0.75000000000000 0.00000000000000 0.89780132387295 10.811 > 1 7 B 0.25000000000000 0.50000000000000 0.89780132387295 10.811 > 1 8 B 0.75000000000000 0.50000000000000 0.89780132387295 10.811 > 1 9 B 0.00000000000000 0.25000000000000 0.10219867612705 10.811 > 2 10 B 0.50000000000000 0.25000000000000 0.10219867612705 10.811 > 2 11 B 0.00000000000000 0.75000000000000 0.10219867612705 10.811 > 2 12 B 0.50000000000000 0.75000000000000 0.10219867612705 10.811 > 2 13 B 0.00000000000000 0.25000000000000 0.60219867612705 10.811 > 2 14 B 0.50000000000000 0.25000000000000 0.60219867612705 10.811 > 2 15 B 0.00000000000000 0.75000000000000 0.60219867612705 10.811 > 2 16 B 0.50000000000000 0.75000000000000 0.60219867612705 10.811 > 2 *17 O 0.14341513242448 0.00000000000000 0.33222266741806 15.999 > 3 18 O 0.64341513242448 0.00000000000000 0.33222266741806 15.999 > 3 19 O 0.14341513242448 0.50000000000000 0.33222266741806 15.999 > 3 20 O 0.64341513242448 0.50000000000000 0.33222266741806 15.999 > 3 21 O 0.14341513242448 0.00000000000000 0.83222266741806 15.999 > 3 22 O 0.64341513242448 0.00000000000000 0.83222266741806 15.999 > 3 23 O 0.14341513242448 0.50000000000000 0.83222266741806 15.999 > 3 24 O 0.64341513242448 0.50000000000000 0.83222266741806 15.999 > 3 25 O 0.10658486757552 0.25000000000000 0.16777733258194 15.999 > 4 26 O 0.60658486757552 0.25000000000000 0.16777733258194 15.999 > 4 27 O 0.10658486757552 0.75000000000000 0.16777733258194 15.999 > 4 28 O 0.60658486757552 0.75000000000000 0.16777733258194 15.999 > 4 29 O 0.10658486757552 0.25000000000000 0.66777733258194 15.999 > 4 30 O 0.60658486757552 0.25000000000000 0.66777733258194 15.999 > 4 31 O 0.10658486757552 0.75000000000000 0.66777733258194 15.999 > 4 32 O 0.60658486757552 0.75000000000000 0.66777733258194 15.999 > 4 *33 O 0.25000000000000 0.00000000000000 0.02189302435887 15.999 > 5 34 O 0.75000000000000 0.00000000000000 0.02189302435887 15.999 > 5 35 O 0.25000000000000 0.50000000000000 0.02189302435887 15.999 > 5 36 O 0.75000000000000 0.50000000000000 0.02189302435887 15.999 > 5 37 O 0.25000000000000 0.00000000000000 0.52189302435887 15.999 > 5 38 O 0.75000000000000 0.00000000000000 0.52189302435887 15.999 > 5 39 O 0.25000000000000 0.50000000000000 0.52189302435887 15.999 > 5 40 O 0.75000000000000 0.50000000000000 0.52189302435887 15.999 > 5 41 O 0.00000000000000 0.25000000000000 0.47810697564113 15.999 > 6 42 O 0.50000000000000 0.25000000000000 0.47810697564113 15.999 > 6 43 O 0.00000000000000 0.75000000000000 0.47810697564113 15.999 > 6 44 O 0.50000000000000 0.75000000000000 0.47810697564113 15.999 > 6 45 O 0.00000000000000 0.25000000000000 0.97810697564113 15.999 > 6 46 O 0.50000000000000 0.25000000000000 0.97810697564113 15.999 > 6 47 O 0.00000000000000 0.75000000000000 0.97810697564113 15.999 > 6 48 O 0.50000000000000 0.75000000000000 0.97810697564113 15.999 > 6 49 O 0.39341513242448 0.25000000000000 0.16777733258194 15.999 > 7 50 O 0.89341513242448 0.25000000000000 0.16777733258194 15.999 > 7 51 O 0.39341513242448 0.75000000000000 0.16777733258194 15.999 > 7 52 O 0.89341513242448 0.75000000000000 0.16777733258194 15.999 > 7 53 O 0.39341513242448 0.25000000000000 0.66777733258194 15.999 > 7 54 O 0.89341513242448 0.25000000000000 0.66777733258194 15.999 > 7 55 O 0.39341513242448 0.75000000000000 0.66777733258194 15.999 > 7 56 O 0.89341513242448 0.75000000000000 0.66777733258194 15.999 > 7 57 O 0.35658486757552 0.00000000000000 0.33222266741806 15.999 > 8 58 O 0.85658486757552 0.00000000000000 0.33222266741806 15.999 > 8 59 O 0.35658486757552 0.50000000000000 0.33222266741806 15.999 > 8 60 O 0.85658486757552 0.50000000000000 0.33222266741806 15.999 > 8 61 O 0.35658486757552 0.00000000000000 0.83222266741806 15.999 > 8 62 O 0.85658486757552 0.00000000000000 0.83222266741806 15.999 > 8 63 O 0.35658486757552 0.50000000000000 0.83222266741806 15.999 > 8 64 O 0.85658486757552 0.50000000000000 0.83222266741806 15.999 > 8 *65 Na 0.25000000000000 0.38530790401565 0.18683527420161 22.990 > 9 66 Na 0.75000000000000 0.38530790401565 0.18683527420161 22.990 > 9 67 Na 0.25000000000000 0.88530790401565 0.18683527420161 22.990 > 9 68 Na 0.75000000000000 0.88530790401565 0.18683527420161 22.990 > 9 69 Na 0.25000000000000 0.38530790401565 0.68683527420161 22.990 > 9 70 Na 0.75000000000000 0.38530790401565 0.68683527420161 22.990 > 9 71 Na 0.25000000000000 0.88530790401565 0.68683527420161 22.990 > 9 72 Na 0.75000000000000 0.88530790401565 0.68683527420161 22.990 > 9 73 Na 0.25000000000000 0.11469209598435 0.18683527420161 22.990 > 10 74 Na 0.75000000000000 0.11469209598435 0.18683527420161 22.990 > 10 75 Na 0.25000000000000 0.61469209598435 0.18683527420161 22.990 > 10 76 Na 0.75000000000000 0.61469209598435 0.18683527420161 22.990 > 10 77 Na 0.25000000000000 0.11469209598435 0.68683527420161 22.990 > 10 78 Na 0.75000000000000 0.11469209598435 0.68683527420161 22.990 > 10 79 Na 0.25000000000000 0.61469209598435 0.68683527420161 22.990 > 10 80 Na 0.75000000000000 0.61469209598435 0.68683527420161 22.990 > 10 81 Na 0.00000000000000 0.36469209598435 0.31316472579839 22.990 > 11 82 Na 0.50000000000000 0.36469209598435 0.31316472579839 22.990 > 11 83 Na 0.00000000000000 0.86469209598435 0.31316472579839 22.990 > 11 84 Na 0.50000000000000 0.86469209598435 0.31316472579839 22.990 > 11 85 Na 0.00000000000000 0.36469209598435 0.81316472579839 22.990 > 11 86 Na 0.50000000000000 0.36469209598435 0.81316472579839 22.990 > 11 87 Na 0.00000000000000 0.86469209598435 0.81316472579839 22.990 > 11 88 Na 0.50000000000000 0.86469209598435 0.81316472579839 22.990 > 11 89 Na 0.00000000000000 0.13530790401565 0.31316472579839 22.990 > 12 90 Na 0.50000000000000 0.13530790401565 0.31316472579839 22.990 > 12 91 Na 0.00000000000000 0.63530790401565 0.31316472579839 22.990 > 12 92 Na 0.50000000000000 0.63530790401565 0.31316472579839 22.990 > 12 93 Na 0.00000000000000 0.13530790401565 0.81316472579839 22.990 > 12 94 Na 0.50000000000000 0.13530790401565 0.81316472579839 22.990 > 12 95 Na 0.00000000000000 0.63530790401565 0.81316472579839 22.990 > 12 96 Na 0.50000000000000 0.63530790401565 0.81316472579839 22.990 > 12 *97 K 0.25000000000000 0.25000000000000 0.46086358999528 39.098 > 13 98 K 0.75000000000000 0.25000000000000 0.46086358999528 39.098 > 13 99 K 0.25000000000000 0.75000000000000 0.46086358999528 39.098 > 13 100 K 0.75000000000000 0.75000000000000 0.46086358999528 39.098 > 13 101 K 0.25000000000000 0.25000000000000 0.96086358999528 39.098 > 13 102 K 0.75000000000000 0.25000000000000 0.96086358999528 39.098 > 13 103 K 0.25000000000000 0.75000000000000 0.96086358999528 39.098 > 13 104 K 0.75000000000000 0.75000000000000 0.96086358999528 39.098 > 13 105 K 0.00000000000000 0.00000000000000 0.03913641000472 39.098 > 14 106 K 0.50000000000000 0.00000000000000 0.03913641000472 39.098 > 14 107 K 0.00000000000000 0.50000000000000 0.03913641000472 39.098 > 14 108 K 0.50000000000000 0.50000000000000 0.03913641000472 39.098 > 14 109 K 0.00000000000000 0.00000000000000 0.53913641000472 39.098 > 14 110 K 0.50000000000000 0.00000000000000 0.53913641000472 39.098 > 14 111 K 0.00000000000000 0.50000000000000 0.53913641000472 39.098 > 14 112 K 0.50000000000000 0.50000000000000 0.53913641000472 39.098 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.6028034 0.0000000 0.0000000 0.0000000 2.3752086 0.0000000 0.0000000 0.0000000 2.6306382-------------------------- Born effective charges -------------------------- 1 B 2.4223482 0.0000000 0.0000000 0.0000000 0.1014705 0.0000000 0.0000000 0.0000000 2.3657414 2 B 2.4223482 0.0000000 0.0000000 0.0000000 0.1014705 0.0000000 0.0000000 0.0000000 2.3657414 3 O -2.1055536 0.0000000 -0.3905401 0.0000000 -1.0737867 0.0000000 -0.4263733 0.0000000 -1.5874619 4 O -2.1055536 0.0000000 -0.3905401 0.0000000 -1.0737867 0.0000000 -0.4263733 0.0000000 -1.5874619 5 O -1.4016907 0.0000000 0.0000000 0.0000000 -1.1478005 0.0000000 0.0000000 0.0000000 -2.3278832 6 O -1.4016907 0.0000000 0.0000000 0.0000000 -1.1478005 0.0000000 0.0000000 0.0000000 -2.3278832 7 O -2.1055536 0.0000000 0.3905401 0.0000000 -1.0737867 0.0000000 0.4263733 0.0000000 -1.5874619 8 O -2.1055536 0.0000000 0.3905401 0.0000000 -1.0737867 0.0000000 0.4263733 0.0000000 -1.5874619 9 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 0.0809740 0.0000000 0.0811516 1.0507911 10 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 -0.0809740 0.0000000 -0.0811516 1.0507911 11 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 0.0809740 0.0000000 0.0811516 1.0507911 12 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 -0.0809740 0.0000000 -0.0811516 1.0507911 13 K 1.2808224 0.0000000 0.0000000 0.0000000 1.1804420 0.0000000 0.0000000 0.0000000 1.0354833 14 K 1.2808224 0.0000000 0.0000000 0.0000000 1.1804420 0.0000000 0.0000000 0.0000000 1.0354833----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1042Number of blocks in projector: 1042Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 106Use standard eigh solver.Tree of FC basis block matrices:- (1042, 1023), data: False|-- (106, 106), data: True|-- (186, 184), data: True|-- (186, 184), data: True|-- (188, 183), data: True|-- (188, 183), data: True|-- (188, 183), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 1.072Solver_block: 200 / 240 - Time: 1.087Solver_block: 240 / 240 - Time: 0.502Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.686--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1042Number of blocks in projector: 1042Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 106Use standard eigh solver.Tree of FC basis block matrices:- (1042, 1023), data: False|-- (106, 106), data: True|-- (186, 184), data: True|-- (186, 184), data: True|-- (188, 183), data: True|-- (188, 183), data: True|-- (188, 183), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:49:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:49:32]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmmn (59)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.601453290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.018686920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.584088519999999Atomic positions (fractional): 1 B 0.50000000000000 0.00000000000000 0.79560264774590 10.811 2 B 0.00000000000000 0.50000000000000 0.20439735225410 10.811 3 O 0.28683026484896 0.00000000000000 0.66444533483611 15.999 4 O 0.21316973515105 0.50000000000000 0.33555466516389 15.999 5 O 0.50000000000000 0.00000000000000 0.04378604871774 15.999 6 O 0.00000000000000 0.50000000000000 0.95621395128226 15.999 7 O 0.78683026484896 0.50000000000000 0.33555466516389 15.999 8 O 0.71316973515104 0.00000000000000 0.66444533483611 15.999 9 Na 0.50000000000000 0.77061580803129 0.37367054840323 22.990 10 Na 0.50000000000000 0.22938419196871 0.37367054840323 22.990 11 Na 0.00000000000000 0.72938419196871 0.62632945159677 22.990 12 Na 0.00000000000000 0.27061580803129 0.62632945159677 22.990 13 K 0.50000000000000 0.50000000000000 0.92172717999056 39.098 14 K 0.00000000000000 0.00000000000000 0.07827282000944 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 11.202906580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.037373840000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.168177039999998Atomic positions (fractional): 1 B 0.25000000000000 0.00000000000000 0.39780132387295 10.811 > 1 2 B 0.75000000000000 0.00000000000000 0.39780132387295 10.811 > 1 3 B 0.25000000000000 0.50000000000000 0.39780132387295 10.811 > 1 4 B 0.75000000000000 0.50000000000000 0.39780132387295 10.811 > 1 5 B 0.25000000000000 0.00000000000000 0.89780132387295 10.811 > 1 6 B 0.75000000000000 0.00000000000000 0.89780132387295 10.811 > 1 7 B 0.25000000000000 0.50000000000000 0.89780132387295 10.811 > 1 8 B 0.75000000000000 0.50000000000000 0.89780132387295 10.811 > 1 9 B 0.00000000000000 0.25000000000000 0.10219867612705 10.811 > 9 10 B 0.50000000000000 0.25000000000000 0.10219867612705 10.811 > 9 11 B 0.00000000000000 0.75000000000000 0.10219867612705 10.811 > 9 12 B 0.50000000000000 0.75000000000000 0.10219867612705 10.811 > 9 13 B 0.00000000000000 0.25000000000000 0.60219867612705 10.811 > 9 14 B 0.50000000000000 0.25000000000000 0.60219867612705 10.811 > 9 15 B 0.00000000000000 0.75000000000000 0.60219867612705 10.811 > 9 16 B 0.50000000000000 0.75000000000000 0.60219867612705 10.811 > 9 17 O 0.14341513242448 0.00000000000000 0.33222266741806 15.999 > 17 18 O 0.64341513242448 0.00000000000000 0.33222266741806 15.999 > 17 19 O 0.14341513242448 0.50000000000000 0.33222266741806 15.999 > 17 20 O 0.64341513242448 0.50000000000000 0.33222266741806 15.999 > 17 21 O 0.14341513242448 0.00000000000000 0.83222266741806 15.999 > 17 22 O 0.64341513242448 0.00000000000000 0.83222266741806 15.999 > 17 23 O 0.14341513242448 0.50000000000000 0.83222266741806 15.999 > 17 24 O 0.64341513242448 0.50000000000000 0.83222266741806 15.999 > 17 25 O 0.10658486757552 0.25000000000000 0.16777733258194 15.999 > 25 26 O 0.60658486757552 0.25000000000000 0.16777733258194 15.999 > 25 27 O 0.10658486757552 0.75000000000000 0.16777733258194 15.999 > 25 28 O 0.60658486757552 0.75000000000000 0.16777733258194 15.999 > 25 29 O 0.10658486757552 0.25000000000000 0.66777733258194 15.999 > 25 30 O 0.60658486757552 0.25000000000000 0.66777733258194 15.999 > 25 31 O 0.10658486757552 0.75000000000000 0.66777733258194 15.999 > 25 32 O 0.60658486757552 0.75000000000000 0.66777733258194 15.999 > 25 33 O 0.25000000000000 0.00000000000000 0.02189302435887 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.02189302435887 15.999 > 33 35 O 0.25000000000000 0.50000000000000 0.02189302435887 15.999 > 33 36 O 0.75000000000000 0.50000000000000 0.02189302435887 15.999 > 33 37 O 0.25000000000000 0.00000000000000 0.52189302435887 15.999 > 33 38 O 0.75000000000000 0.00000000000000 0.52189302435887 15.999 > 33 39 O 0.25000000000000 0.50000000000000 0.52189302435887 15.999 > 33 40 O 0.75000000000000 0.50000000000000 0.52189302435887 15.999 > 33 41 O 0.00000000000000 0.25000000000000 0.47810697564113 15.999 > 41 42 O 0.50000000000000 0.25000000000000 0.47810697564113 15.999 > 41 43 O 0.00000000000000 0.75000000000000 0.47810697564113 15.999 > 41 44 O 0.50000000000000 0.75000000000000 0.47810697564113 15.999 > 41 45 O 0.00000000000000 0.25000000000000 0.97810697564113 15.999 > 41 46 O 0.50000000000000 0.25000000000000 0.97810697564113 15.999 > 41 47 O 0.00000000000000 0.75000000000000 0.97810697564113 15.999 > 41 48 O 0.50000000000000 0.75000000000000 0.97810697564113 15.999 > 41 49 O 0.39341513242448 0.25000000000000 0.16777733258194 15.999 > 49 50 O 0.89341513242448 0.25000000000000 0.16777733258194 15.999 > 49 51 O 0.39341513242448 0.75000000000000 0.16777733258194 15.999 > 49 52 O 0.89341513242448 0.75000000000000 0.16777733258194 15.999 > 49 53 O 0.39341513242448 0.25000000000000 0.66777733258194 15.999 > 49 54 O 0.89341513242448 0.25000000000000 0.66777733258194 15.999 > 49 55 O 0.39341513242448 0.75000000000000 0.66777733258194 15.999 > 49 56 O 0.89341513242448 0.75000000000000 0.66777733258194 15.999 > 49 57 O 0.35658486757552 0.00000000000000 0.33222266741806 15.999 > 57 58 O 0.85658486757552 0.00000000000000 0.33222266741806 15.999 > 57 59 O 0.35658486757552 0.50000000000000 0.33222266741806 15.999 > 57 60 O 0.85658486757552 0.50000000000000 0.33222266741806 15.999 > 57 61 O 0.35658486757552 0.00000000000000 0.83222266741806 15.999 > 57 62 O 0.85658486757552 0.00000000000000 0.83222266741806 15.999 > 57 63 O 0.35658486757552 0.50000000000000 0.83222266741806 15.999 > 57 64 O 0.85658486757552 0.50000000000000 0.83222266741806 15.999 > 57 65 Na 0.25000000000000 0.38530790401565 0.18683527420161 22.990 > 65 66 Na 0.75000000000000 0.38530790401565 0.18683527420161 22.990 > 65 67 Na 0.25000000000000 0.88530790401565 0.18683527420161 22.990 > 65 68 Na 0.75000000000000 0.88530790401565 0.18683527420161 22.990 > 65 69 Na 0.25000000000000 0.38530790401565 0.68683527420161 22.990 > 65 70 Na 0.75000000000000 0.38530790401565 0.68683527420161 22.990 > 65 71 Na 0.25000000000000 0.88530790401565 0.68683527420161 22.990 > 65 72 Na 0.75000000000000 0.88530790401565 0.68683527420161 22.990 > 65 73 Na 0.25000000000000 0.11469209598435 0.18683527420161 22.990 > 73 74 Na 0.75000000000000 0.11469209598435 0.18683527420161 22.990 > 73 75 Na 0.25000000000000 0.61469209598435 0.18683527420161 22.990 > 73 76 Na 0.75000000000000 0.61469209598435 0.18683527420161 22.990 > 73 77 Na 0.25000000000000 0.11469209598435 0.68683527420161 22.990 > 73 78 Na 0.75000000000000 0.11469209598435 0.68683527420161 22.990 > 73 79 Na 0.25000000000000 0.61469209598435 0.68683527420161 22.990 > 73 80 Na 0.75000000000000 0.61469209598435 0.68683527420161 22.990 > 73 81 Na 0.00000000000000 0.36469209598435 0.31316472579839 22.990 > 81 82 Na 0.50000000000000 0.36469209598435 0.31316472579839 22.990 > 81 83 Na 0.00000000000000 0.86469209598435 0.31316472579839 22.990 > 81 84 Na 0.50000000000000 0.86469209598435 0.31316472579839 22.990 > 81 85 Na 0.00000000000000 0.36469209598435 0.81316472579839 22.990 > 81 86 Na 0.50000000000000 0.36469209598435 0.81316472579839 22.990 > 81 87 Na 0.00000000000000 0.86469209598435 0.81316472579839 22.990 > 81 88 Na 0.50000000000000 0.86469209598435 0.81316472579839 22.990 > 81 89 Na 0.00000000000000 0.13530790401565 0.31316472579839 22.990 > 89 90 Na 0.50000000000000 0.13530790401565 0.31316472579839 22.990 > 89 91 Na 0.00000000000000 0.63530790401565 0.31316472579839 22.990 > 89 92 Na 0.50000000000000 0.63530790401565 0.31316472579839 22.990 > 89 93 Na 0.00000000000000 0.13530790401565 0.81316472579839 22.990 > 89 94 Na 0.50000000000000 0.13530790401565 0.81316472579839 22.990 > 89 95 Na 0.00000000000000 0.63530790401565 0.81316472579839 22.990 > 89 96 Na 0.50000000000000 0.63530790401565 0.81316472579839 22.990 > 89 97 K 0.25000000000000 0.25000000000000 0.46086358999528 39.098 > 97 98 K 0.75000000000000 0.25000000000000 0.46086358999528 39.098 > 97 99 K 0.25000000000000 0.75000000000000 0.46086358999528 39.098 > 97 100 K 0.75000000000000 0.75000000000000 0.46086358999528 39.098 > 97 101 K 0.25000000000000 0.25000000000000 0.96086358999528 39.098 > 97 102 K 0.75000000000000 0.25000000000000 0.96086358999528 39.098 > 97 103 K 0.25000000000000 0.75000000000000 0.96086358999528 39.098 > 97 104 K 0.75000000000000 0.75000000000000 0.96086358999528 39.098 > 97 105 K 0.00000000000000 0.00000000000000 0.03913641000472 39.098 > 105 106 K 0.50000000000000 0.00000000000000 0.03913641000472 39.098 > 105 107 K 0.00000000000000 0.50000000000000 0.03913641000472 39.098 > 105 108 K 0.50000000000000 0.50000000000000 0.03913641000472 39.098 > 105 109 K 0.00000000000000 0.00000000000000 0.53913641000472 39.098 > 105 110 K 0.50000000000000 0.00000000000000 0.53913641000472 39.098 > 105 111 K 0.00000000000000 0.50000000000000 0.53913641000472 39.098 > 105 112 K 0.50000000000000 0.50000000000000 0.53913641000472 39.098 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.6028034 0.0000000 0.0000000 0.0000000 2.3752086 0.0000000 0.0000000 0.0000000 2.6306382-------------------------- Born effective charges -------------------------- 1 B 2.4223482 0.0000000 0.0000000 0.0000000 0.1014705 0.0000000 0.0000000 0.0000000 2.3657414 2 B 2.4223482 0.0000000 0.0000000 0.0000000 0.1014705 0.0000000 0.0000000 0.0000000 2.3657414 3 O -2.1055536 0.0000000 -0.3905401 0.0000000 -1.0737867 0.0000000 -0.4263733 0.0000000 -1.5874619 4 O -2.1055536 0.0000000 -0.3905401 0.0000000 -1.0737867 0.0000000 -0.4263733 0.0000000 -1.5874619 5 O -1.4016907 0.0000000 0.0000000 0.0000000 -1.1478005 0.0000000 0.0000000 0.0000000 -2.3278832 6 O -1.4016907 0.0000000 0.0000000 0.0000000 -1.1478005 0.0000000 0.0000000 0.0000000 -2.3278832 7 O -2.1055536 0.0000000 0.3905401 0.0000000 -1.0737867 0.0000000 0.4263733 0.0000000 -1.5874619 8 O -2.1055536 0.0000000 0.3905401 0.0000000 -1.0737867 0.0000000 0.4263733 0.0000000 -1.5874619 9 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 0.0809740 0.0000000 0.0811516 1.0507911 10 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 -0.0809740 0.0000000 -0.0811516 1.0507911 11 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 0.0809740 0.0000000 0.0811516 1.0507911 12 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 -0.0809740 0.0000000 -0.0811516 1.0507911 13 K 1.2808224 0.0000000 0.0000000 0.0000000 1.1804420 0.0000000 0.0000000 0.0000000 1.0354833 14 K 1.2808224 0.0000000 0.0000000 0.0000000 1.1804420 0.0000000 0.0000000 0.0000000 1.0354833----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000012 (xxx) 0.00000012 (xxx) 0.00000012 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:49:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:49:46]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmmn (59)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.601453290000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.018686920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.584088519999999Atomic positions (fractional): 1 B 0.50000000000000 0.00000000000000 0.79560264774590 10.811 2 B 0.00000000000000 0.50000000000000 0.20439735225410 10.811 3 O 0.28683026484896 0.00000000000000 0.66444533483611 15.999 4 O 0.21316973515105 0.50000000000000 0.33555466516389 15.999 5 O 0.50000000000000 0.00000000000000 0.04378604871774 15.999 6 O 0.00000000000000 0.50000000000000 0.95621395128226 15.999 7 O 0.78683026484896 0.50000000000000 0.33555466516389 15.999 8 O 0.71316973515104 0.00000000000000 0.66444533483611 15.999 9 Na 0.50000000000000 0.77061580803129 0.37367054840323 22.990 10 Na 0.50000000000000 0.22938419196871 0.37367054840323 22.990 11 Na 0.00000000000000 0.72938419196871 0.62632945159677 22.990 12 Na 0.00000000000000 0.27061580803129 0.62632945159677 22.990 13 K 0.50000000000000 0.50000000000000 0.92172717999056 39.098 14 K 0.00000000000000 0.00000000000000 0.07827282000944 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 11.202906580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.037373840000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.168177039999998Atomic positions (fractional): 1 B 0.25000000000000 0.00000000000000 0.39780132387295 10.811 > 1 2 B 0.75000000000000 0.00000000000000 0.39780132387295 10.811 > 1 3 B 0.25000000000000 0.50000000000000 0.39780132387295 10.811 > 1 4 B 0.75000000000000 0.50000000000000 0.39780132387295 10.811 > 1 5 B 0.25000000000000 0.00000000000000 0.89780132387295 10.811 > 1 6 B 0.75000000000000 0.00000000000000 0.89780132387295 10.811 > 1 7 B 0.25000000000000 0.50000000000000 0.89780132387295 10.811 > 1 8 B 0.75000000000000 0.50000000000000 0.89780132387295 10.811 > 1 9 B 0.00000000000000 0.25000000000000 0.10219867612705 10.811 > 9 10 B 0.50000000000000 0.25000000000000 0.10219867612705 10.811 > 9 11 B 0.00000000000000 0.75000000000000 0.10219867612705 10.811 > 9 12 B 0.50000000000000 0.75000000000000 0.10219867612705 10.811 > 9 13 B 0.00000000000000 0.25000000000000 0.60219867612705 10.811 > 9 14 B 0.50000000000000 0.25000000000000 0.60219867612705 10.811 > 9 15 B 0.00000000000000 0.75000000000000 0.60219867612705 10.811 > 9 16 B 0.50000000000000 0.75000000000000 0.60219867612705 10.811 > 9 17 O 0.14341513242448 0.00000000000000 0.33222266741806 15.999 > 17 18 O 0.64341513242448 0.00000000000000 0.33222266741806 15.999 > 17 19 O 0.14341513242448 0.50000000000000 0.33222266741806 15.999 > 17 20 O 0.64341513242448 0.50000000000000 0.33222266741806 15.999 > 17 21 O 0.14341513242448 0.00000000000000 0.83222266741806 15.999 > 17 22 O 0.64341513242448 0.00000000000000 0.83222266741806 15.999 > 17 23 O 0.14341513242448 0.50000000000000 0.83222266741806 15.999 > 17 24 O 0.64341513242448 0.50000000000000 0.83222266741806 15.999 > 17 25 O 0.10658486757552 0.25000000000000 0.16777733258194 15.999 > 25 26 O 0.60658486757552 0.25000000000000 0.16777733258194 15.999 > 25 27 O 0.10658486757552 0.75000000000000 0.16777733258194 15.999 > 25 28 O 0.60658486757552 0.75000000000000 0.16777733258194 15.999 > 25 29 O 0.10658486757552 0.25000000000000 0.66777733258194 15.999 > 25 30 O 0.60658486757552 0.25000000000000 0.66777733258194 15.999 > 25 31 O 0.10658486757552 0.75000000000000 0.66777733258194 15.999 > 25 32 O 0.60658486757552 0.75000000000000 0.66777733258194 15.999 > 25 33 O 0.25000000000000 0.00000000000000 0.02189302435887 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.02189302435887 15.999 > 33 35 O 0.25000000000000 0.50000000000000 0.02189302435887 15.999 > 33 36 O 0.75000000000000 0.50000000000000 0.02189302435887 15.999 > 33 37 O 0.25000000000000 0.00000000000000 0.52189302435887 15.999 > 33 38 O 0.75000000000000 0.00000000000000 0.52189302435887 15.999 > 33 39 O 0.25000000000000 0.50000000000000 0.52189302435887 15.999 > 33 40 O 0.75000000000000 0.50000000000000 0.52189302435887 15.999 > 33 41 O 0.00000000000000 0.25000000000000 0.47810697564113 15.999 > 41 42 O 0.50000000000000 0.25000000000000 0.47810697564113 15.999 > 41 43 O 0.00000000000000 0.75000000000000 0.47810697564113 15.999 > 41 44 O 0.50000000000000 0.75000000000000 0.47810697564113 15.999 > 41 45 O 0.00000000000000 0.25000000000000 0.97810697564113 15.999 > 41 46 O 0.50000000000000 0.25000000000000 0.97810697564113 15.999 > 41 47 O 0.00000000000000 0.75000000000000 0.97810697564113 15.999 > 41 48 O 0.50000000000000 0.75000000000000 0.97810697564113 15.999 > 41 49 O 0.39341513242448 0.25000000000000 0.16777733258194 15.999 > 49 50 O 0.89341513242448 0.25000000000000 0.16777733258194 15.999 > 49 51 O 0.39341513242448 0.75000000000000 0.16777733258194 15.999 > 49 52 O 0.89341513242448 0.75000000000000 0.16777733258194 15.999 > 49 53 O 0.39341513242448 0.25000000000000 0.66777733258194 15.999 > 49 54 O 0.89341513242448 0.25000000000000 0.66777733258194 15.999 > 49 55 O 0.39341513242448 0.75000000000000 0.66777733258194 15.999 > 49 56 O 0.89341513242448 0.75000000000000 0.66777733258194 15.999 > 49 57 O 0.35658486757552 0.00000000000000 0.33222266741806 15.999 > 57 58 O 0.85658486757552 0.00000000000000 0.33222266741806 15.999 > 57 59 O 0.35658486757552 0.50000000000000 0.33222266741806 15.999 > 57 60 O 0.85658486757552 0.50000000000000 0.33222266741806 15.999 > 57 61 O 0.35658486757552 0.00000000000000 0.83222266741806 15.999 > 57 62 O 0.85658486757552 0.00000000000000 0.83222266741806 15.999 > 57 63 O 0.35658486757552 0.50000000000000 0.83222266741806 15.999 > 57 64 O 0.85658486757552 0.50000000000000 0.83222266741806 15.999 > 57 65 Na 0.25000000000000 0.38530790401565 0.18683527420161 22.990 > 65 66 Na 0.75000000000000 0.38530790401565 0.18683527420161 22.990 > 65 67 Na 0.25000000000000 0.88530790401565 0.18683527420161 22.990 > 65 68 Na 0.75000000000000 0.88530790401565 0.18683527420161 22.990 > 65 69 Na 0.25000000000000 0.38530790401565 0.68683527420161 22.990 > 65 70 Na 0.75000000000000 0.38530790401565 0.68683527420161 22.990 > 65 71 Na 0.25000000000000 0.88530790401565 0.68683527420161 22.990 > 65 72 Na 0.75000000000000 0.88530790401565 0.68683527420161 22.990 > 65 73 Na 0.25000000000000 0.11469209598435 0.18683527420161 22.990 > 73 74 Na 0.75000000000000 0.11469209598435 0.18683527420161 22.990 > 73 75 Na 0.25000000000000 0.61469209598435 0.18683527420161 22.990 > 73 76 Na 0.75000000000000 0.61469209598435 0.18683527420161 22.990 > 73 77 Na 0.25000000000000 0.11469209598435 0.68683527420161 22.990 > 73 78 Na 0.75000000000000 0.11469209598435 0.68683527420161 22.990 > 73 79 Na 0.25000000000000 0.61469209598435 0.68683527420161 22.990 > 73 80 Na 0.75000000000000 0.61469209598435 0.68683527420161 22.990 > 73 81 Na 0.00000000000000 0.36469209598435 0.31316472579839 22.990 > 81 82 Na 0.50000000000000 0.36469209598435 0.31316472579839 22.990 > 81 83 Na 0.00000000000000 0.86469209598435 0.31316472579839 22.990 > 81 84 Na 0.50000000000000 0.86469209598435 0.31316472579839 22.990 > 81 85 Na 0.00000000000000 0.36469209598435 0.81316472579839 22.990 > 81 86 Na 0.50000000000000 0.36469209598435 0.81316472579839 22.990 > 81 87 Na 0.00000000000000 0.86469209598435 0.81316472579839 22.990 > 81 88 Na 0.50000000000000 0.86469209598435 0.81316472579839 22.990 > 81 89 Na 0.00000000000000 0.13530790401565 0.31316472579839 22.990 > 89 90 Na 0.50000000000000 0.13530790401565 0.31316472579839 22.990 > 89 91 Na 0.00000000000000 0.63530790401565 0.31316472579839 22.990 > 89 92 Na 0.50000000000000 0.63530790401565 0.31316472579839 22.990 > 89 93 Na 0.00000000000000 0.13530790401565 0.81316472579839 22.990 > 89 94 Na 0.50000000000000 0.13530790401565 0.81316472579839 22.990 > 89 95 Na 0.00000000000000 0.63530790401565 0.81316472579839 22.990 > 89 96 Na 0.50000000000000 0.63530790401565 0.81316472579839 22.990 > 89 97 K 0.25000000000000 0.25000000000000 0.46086358999528 39.098 > 97 98 K 0.75000000000000 0.25000000000000 0.46086358999528 39.098 > 97 99 K 0.25000000000000 0.75000000000000 0.46086358999528 39.098 > 97 100 K 0.75000000000000 0.75000000000000 0.46086358999528 39.098 > 97 101 K 0.25000000000000 0.25000000000000 0.96086358999528 39.098 > 97 102 K 0.75000000000000 0.25000000000000 0.96086358999528 39.098 > 97 103 K 0.25000000000000 0.75000000000000 0.96086358999528 39.098 > 97 104 K 0.75000000000000 0.75000000000000 0.96086358999528 39.098 > 97 105 K 0.00000000000000 0.00000000000000 0.03913641000472 39.098 > 105 106 K 0.50000000000000 0.00000000000000 0.03913641000472 39.098 > 105 107 K 0.00000000000000 0.50000000000000 0.03913641000472 39.098 > 105 108 K 0.50000000000000 0.50000000000000 0.03913641000472 39.098 > 105 109 K 0.00000000000000 0.00000000000000 0.53913641000472 39.098 > 105 110 K 0.50000000000000 0.00000000000000 0.53913641000472 39.098 > 105 111 K 0.00000000000000 0.50000000000000 0.53913641000472 39.098 > 105 112 K 0.50000000000000 0.50000000000000 0.53913641000472 39.098 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.6028034 0.0000000 0.0000000 0.0000000 2.3752086 0.0000000 0.0000000 0.0000000 2.6306382-------------------------- Born effective charges -------------------------- 1 B 2.4223482 0.0000000 0.0000000 0.0000000 0.1014705 0.0000000 0.0000000 0.0000000 2.3657414 2 B 2.4223482 0.0000000 0.0000000 0.0000000 0.1014705 0.0000000 0.0000000 0.0000000 2.3657414 3 O -2.1055536 0.0000000 -0.3905401 0.0000000 -1.0737867 0.0000000 -0.4263733 0.0000000 -1.5874619 4 O -2.1055536 0.0000000 -0.3905401 0.0000000 -1.0737867 0.0000000 -0.4263733 0.0000000 -1.5874619 5 O -1.4016907 0.0000000 0.0000000 0.0000000 -1.1478005 0.0000000 0.0000000 0.0000000 -2.3278832 6 O -1.4016907 0.0000000 0.0000000 0.0000000 -1.1478005 0.0000000 0.0000000 0.0000000 -2.3278832 7 O -2.1055536 0.0000000 0.3905401 0.0000000 -1.0737867 0.0000000 0.4263733 0.0000000 -1.5874619 8 O -2.1055536 0.0000000 0.3905401 0.0000000 -1.0737867 0.0000000 0.4263733 0.0000000 -1.5874619 9 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 0.0809740 0.0000000 0.0811516 1.0507911 10 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 -0.0809740 0.0000000 -0.0811516 1.0507911 11 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 0.0809740 0.0000000 0.0811516 1.0507911 12 Na 0.9548137 0.0000000 0.0000000 0.0000000 1.0067307 -0.0809740 0.0000000 -0.0811516 1.0507911 13 K 1.2808224 0.0000000 0.0000000 0.0000000 1.1804420 0.0000000 0.0000000 0.0000000 1.0354833 14 K 1.2808224 0.0000000 0.0000000 0.0000000 1.1804420 0.0000000 0.0000000 0.0000000 1.0354833----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000012 (xxx) 0.00000012 (xxx) 0.00000012 (xxx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 8 9 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 281, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/125) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 15.859 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 17.485 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 22.652 ( 0.000 0.000 0.000) 0.000 22.716 ( 0.000 0.000 0.000) 0.000 26.509 ( 0.000 0.000 0.000) 0.000 26.530 ( 0.000 0.000 0.000) 0.000 34.259 ( 0.000 0.000 0.000) 0.000 35.147 ( 0.000 0.000 0.000) 0.000 36.946 ( 0.000 0.000 0.000) 0.000 36.961 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/125) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.278 ( 15.226 0.000 0.000) 15.226 0.475 ( 24.222 0.000 0.000) 24.222 1.482 ( 72.543 0.000 0.000) 72.543 2.803 ( -2.688 0.000 0.000) 2.688 2.990 ( -1.444 0.000 0.000) 1.444 3.287 ( -14.840 0.000 0.000) 14.840 3.335 ( -4.138 0.000 0.000) 4.138 3.470 ( 5.640 0.000 0.000) 5.640 4.118 ( 11.977 0.000 0.000) 11.977 4.236 ( -0.893 0.000 0.000) 0.893 4.390 ( -3.922 0.000 0.000) 3.922 4.474 ( -4.648 0.000 0.000) 4.648 5.116 ( 12.895 0.000 0.000) 12.895 5.234 ( 0.114 0.000 0.000) 0.114 5.576 ( 14.102 0.000 0.000) 14.102 5.753 ( -0.243 0.000 0.000) 0.243 5.817 ( 2.190 0.000 0.000) 2.190 6.271 ( -6.178 0.000 0.000) 6.178 6.377 ( 2.920 0.000 0.000) 2.920 6.597 ( 9.025 0.000 0.000) 9.025 6.750 ( 2.328 0.000 0.000) 2.328 7.606 ( 2.642 0.000 0.000) 2.642 7.725 ( 0.738 0.000 0.000) 0.738 7.849 ( -9.821 0.000 0.000) 9.821 7.989 ( -1.957 0.000 0.000) 1.957 8.090 ( 2.699 0.000 0.000) 2.699 8.104 ( -2.965 0.000 0.000) 2.965 8.267 ( -2.243 0.000 0.000) 2.243 8.990 ( -2.382 0.000 0.000) 2.382 9.893 ( -4.300 0.000 0.000) 4.300 15.959 ( 3.175 0.000 0.000) 3.175 16.106 ( 2.084 0.000 0.000) 2.084 17.485 ( 0.025 0.000 0.000) 0.025 17.521 ( -0.780 0.000 0.000) 0.780 22.654 ( 0.148 0.000 0.000) 0.148 22.713 ( -0.276 0.000 0.000) 0.276 26.499 ( -0.972 0.000 0.000) 0.972 26.514 ( -1.490 0.000 0.000) 1.490 35.241 ( 9.222 0.000 0.000) 9.222 36.907 ( -4.923 0.000 0.000) 4.923 36.923 ( -2.167 0.000 0.000) 2.167 37.027 ( -0.224 0.000 0.000) 0.224======================= Grid point 2 (3/125) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( 19.124 0.000 0.000) 19.124 0.964 ( 25.142 0.000 0.000) 25.142 2.747 ( -2.467 0.000 0.000) 2.467 2.802 ( 54.608 0.000 0.000) 54.608 2.930 ( -20.475 0.000 0.000) 20.475 2.948 ( -2.790 0.000 0.000) 2.790 3.216 ( -4.476 0.000 0.000) 4.476 3.598 ( 6.638 0.000 0.000) 6.638 4.216 ( -1.270 0.000 0.000) 1.270 4.324 ( -0.369 0.000 0.000) 0.369 4.377 ( -4.956 0.000 0.000) 4.956 4.383 ( 13.974 0.000 0.000) 13.974 5.234 ( -0.398 0.000 0.000) 0.398 5.311 ( 6.829 0.000 0.000) 6.829 5.746 ( -0.278 0.000 0.000) 0.278 5.875 ( 3.571 0.000 0.000) 3.571 6.065 ( 32.558 0.000 0.000) 32.558 6.158 ( -5.423 0.000 0.000) 5.423 6.454 ( 4.551 0.000 0.000) 4.551 6.683 ( 0.573 0.000 0.000) 0.573 6.910 ( 12.514 0.000 0.000) 12.514 7.603 ( -15.349 0.000 0.000) 15.349 7.671 ( 3.382 0.000 0.000) 3.382 7.751 ( 1.981 0.000 0.000) 1.981 7.928 ( -4.245 0.000 0.000) 4.245 8.030 ( -4.036 0.000 0.000) 4.036 8.114 ( -0.137 0.000 0.000) 0.137 8.203 ( -4.078 0.000 0.000) 4.078 8.937 ( -2.504 0.000 0.000) 2.504 9.761 ( -9.028 0.000 0.000) 9.028 16.043 ( 4.986 0.000 0.000) 4.986 16.159 ( 3.077 0.000 0.000) 3.077 17.485 ( -0.048 0.000 0.000) 0.048 17.502 ( -1.007 0.000 0.000) 1.007 22.658 ( 0.282 0.000 0.000) 0.282 22.705 ( -0.471 0.000 0.000) 0.471 26.473 ( -1.539 0.000 0.000) 1.539 26.477 ( -2.091 0.000 0.000) 2.091 35.491 ( 15.268 0.000 0.000) 15.268 36.777 ( -7.992 0.000 0.000) 7.992 36.869 ( -2.891 0.000 0.000) 2.891 37.008 ( -1.711 0.000 0.000) 1.711======================= Grid point 3 (4/125) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( 22.659 0.000 0.000) 22.659 1.471 ( 25.864 0.000 0.000) 25.864 2.488 ( -23.638 0.000 0.000) 23.638 2.722 ( -0.119 0.000 0.000) 0.119 2.878 ( -17.223 0.000 0.000) 17.223 2.882 ( -3.703 0.000 0.000) 3.703 3.718 ( 19.696 0.000 0.000) 19.696 3.719 ( 5.403 0.000 0.000) 5.403 4.179 ( -1.797 0.000 0.000) 1.797 4.281 ( -4.559 0.000 0.000) 4.559 4.573 ( 29.654 0.000 0.000) 29.654 4.656 ( 13.264 0.000 0.000) 13.264 5.201 ( -3.414 0.000 0.000) 3.414 5.417 ( 3.951 0.000 0.000) 3.951 5.758 ( 1.871 0.000 0.000) 1.871 5.964 ( 6.080 0.000 0.000) 6.080 6.049 ( -5.696 0.000 0.000) 5.696 6.544 ( 4.184 0.000 0.000) 4.184 6.678 ( -0.741 0.000 0.000) 0.741 6.731 ( 31.377 0.000 0.000) 31.377 7.175 ( 13.571 0.000 0.000) 13.571 7.230 ( -21.884 0.000 0.000) 21.884 7.703 ( -1.346 0.000 0.000) 1.346 7.802 ( 0.904 0.000 0.000) 0.904 7.822 ( -4.201 0.000 0.000) 4.201 7.975 ( -0.645 0.000 0.000) 0.645 8.093 ( -1.687 0.000 0.000) 1.687 8.109 ( -5.232 0.000 0.000) 5.232 8.917 ( 1.208 0.000 0.000) 1.208 9.536 ( -13.381 0.000 0.000) 13.381 16.143 ( 4.725 0.000 0.000) 4.725 16.216 ( 2.374 0.000 0.000) 2.374 17.483 ( -0.184 0.000 0.000) 0.184 17.485 ( -0.643 0.000 0.000) 0.643 22.665 ( 0.393 0.000 0.000) 0.393 22.695 ( -0.553 0.000 0.000) 0.553 26.439 ( -1.614 0.000 0.000) 1.614 26.442 ( -1.449 0.000 0.000) 1.449 35.816 ( 16.737 0.000 0.000) 16.737 36.599 ( -9.795 0.000 0.000) 9.795 36.823 ( -1.416 0.000 0.000) 1.416 36.957 ( -3.410 0.000 0.000) 3.410======================= Grid point 4 (5/125) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 24.688 0.000 0.000) 24.688 1.983 ( 25.525 0.000 0.000) 25.525 2.002 ( -25.018 0.000 0.000) 25.018 2.470 ( -23.101 0.000 0.000) 23.101 2.745 ( 2.341 0.000 0.000) 2.341 2.807 ( -3.675 0.000 0.000) 3.675 3.809 ( 3.581 0.000 0.000) 3.581 3.851 ( -0.055 0.000 0.000) 0.055 4.165 ( 0.611 0.000 0.000) 0.611 4.203 ( -3.104 0.000 0.000) 3.104 4.900 ( 11.130 0.000 0.000) 11.130 5.089 ( -7.766 0.000 0.000) 7.766 5.205 ( 24.331 0.000 0.000) 24.331 5.443 ( -2.709 0.000 0.000) 2.709 5.825 ( 4.724 0.000 0.000) 4.724 5.933 ( -5.865 0.000 0.000) 5.865 6.184 ( 18.561 0.000 0.000) 18.561 6.614 ( 2.786 0.000 0.000) 2.786 6.656 ( -1.537 0.000 0.000) 1.537 6.685 ( -27.975 0.000 0.000) 27.975 7.296 ( 20.617 0.000 0.000) 20.617 7.433 ( 12.169 0.000 0.000) 12.169 7.593 ( -9.813 0.000 0.000) 9.813 7.651 ( -9.720 0.000 0.000) 9.720 7.894 ( 4.995 0.000 0.000) 4.995 8.001 ( -5.569 0.000 0.000) 5.569 8.003 ( 2.637 0.000 0.000) 2.637 8.054 ( -2.260 0.000 0.000) 2.260 9.012 ( 8.776 0.000 0.000) 8.776 9.252 ( -14.400 0.000 0.000) 14.400 16.218 ( 2.657 0.000 0.000) 2.657 16.243 ( 0.149 0.000 0.000) 0.149 17.478 ( -0.107 0.000 0.000) 0.107 17.479 ( -0.193 0.000 0.000) 0.193 22.674 ( 0.482 0.000 0.000) 0.482 22.684 ( -0.544 0.000 0.000) 0.544 26.417 ( -0.488 0.000 0.000) 0.488 26.420 ( -0.692 0.000 0.000) 0.692 36.131 ( 14.556 0.000 0.000) 14.556 36.389 ( -11.592 0.000 0.000) 11.592 36.824 ( 1.623 0.000 0.000) 1.623 36.882 ( -3.809 0.000 0.000) 3.809======================= Grid point 9 (6/125) =======================q-point: ( 0.00 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.301 ( 0.000 14.642 0.000) 14.642 0.476 ( 0.000 23.889 0.000) 23.889 1.108 ( 0.000 51.684 0.000) 51.684 2.883 ( 0.000 4.493 0.000) 4.493 2.892 ( 0.000 -26.981 0.000) 26.981 3.386 ( 0.000 0.857 0.000) 0.857 3.798 ( 0.000 3.031 0.000) 3.031 3.861 ( 0.000 15.647 0.000) 15.647 4.003 ( 0.000 -2.035 0.000) 2.035 4.089 ( 0.000 10.729 0.000) 10.729 4.199 ( 0.000 -17.172 0.000) 17.172 4.479 ( 0.000 -5.184 0.000) 5.184 5.014 ( 0.000 7.215 0.000) 7.215 5.381 ( 0.000 -6.117 0.000) 6.117 5.417 ( 0.000 -5.374 0.000) 5.374 5.433 ( 0.000 10.640 0.000) 10.640 5.847 ( 0.000 6.895 0.000) 6.895 6.460 ( 0.000 3.835 0.000) 3.835 6.527 ( 0.000 10.100 0.000) 10.100 6.579 ( 0.000 0.030 0.000) 0.030 6.782 ( 0.000 4.051 0.000) 4.051 7.573 ( 0.000 -0.432 0.000) 0.432 7.576 ( 0.000 -2.146 0.000) 2.146 7.698 ( 0.000 -2.060 0.000) 2.060 7.784 ( 0.000 -24.625 0.000) 24.625 7.975 ( 0.000 -3.278 0.000) 3.278 8.081 ( 0.000 -7.735 0.000) 7.735 8.090 ( 0.000 -4.301 0.000) 4.301 9.309 ( 0.000 20.332 0.000) 20.332 10.694 ( 0.000 -2.182 0.000) 2.182 15.868 ( 0.000 0.788 0.000) 0.788 16.075 ( 0.000 -0.852 0.000) 0.852 17.486 ( 0.000 0.076 0.000) 0.076 17.526 ( 0.000 -0.249 0.000) 0.249 22.722 ( 0.000 0.640 0.000) 0.640 22.873 ( 0.000 -0.525 0.000) 0.525 26.508 ( 0.000 -0.036 0.000) 0.036 26.528 ( 0.000 -0.218 0.000) 0.218 34.288 ( 0.000 2.841 0.000) 2.841 35.109 ( 0.000 -3.604 0.000) 3.604 36.943 ( 0.000 -0.209 0.000) 0.209 36.957 ( 0.000 -0.333 0.000) 0.333======================= Grid point 10 (7/125) =======================q-point: ( 0.11 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.671 ( 17.017 16.799 0.000) 23.912 0.983 ( 12.341 34.087 0.000) 36.252 1.593 ( 59.431 15.278 0.000) 61.363 2.792 ( -3.533 -5.897 0.000) 6.874 3.008 ( 4.097 -10.779 0.000) 11.531 3.305 ( -18.564 16.573 0.000) 24.886 3.354 ( -4.377 1.767 0.000) 4.720 3.742 ( -7.618 15.285 0.000) 17.078 4.149 ( -1.513 -11.944 0.000) 12.039 4.188 ( 2.470 -8.468 0.000) 8.821 4.210 ( 9.163 7.567 0.000) 11.884 4.419 ( -4.588 -4.989 0.000) 6.778 5.186 ( 11.870 6.698 0.000) 13.629 5.377 ( -4.022 5.860 0.000) 7.108 5.487 ( 13.682 -7.088 0.000) 15.409 5.608 ( 11.346 -5.221 0.000) 12.489 5.850 ( -0.633 4.896 0.000) 4.937 6.348 ( -5.901 6.304 0.000) 8.635 6.507 ( -2.030 5.739 0.000) 6.087 6.675 ( 7.944 6.843 0.000) 10.485 6.809 ( 4.205 5.597 0.000) 7.001 7.579 ( 1.229 -2.151 0.000) 2.477 7.686 ( -8.782 -19.619 0.000) 21.495 7.702 ( 1.282 -2.102 0.000) 2.462 7.847 ( 11.707 -7.428 0.000) 13.865 7.991 ( 0.416 -9.746 0.000) 9.755 8.083 ( -0.788 -2.980 0.000) 3.082 8.086 ( 0.479 -5.416 0.000) 5.437 9.271 ( -3.717 19.585 0.000) 19.935 10.216 ( -26.333 15.333 0.000) 30.472 15.936 ( 4.716 -0.945 0.000) 4.809 16.097 ( 2.135 -0.801 0.000) 2.281 17.478 ( -0.276 -0.297 0.000) 0.405 17.518 ( -0.757 -0.229 0.000) 0.791 22.719 ( -0.319 0.594 0.000) 0.674 22.744 ( -5.471 4.770 0.000) 7.259 26.485 ( -1.380 -0.702 0.000) 1.548 26.512 ( -1.474 -0.208 0.000) 1.489 35.204 ( 9.331 -3.461 0.000) 9.952 35.710 ( 68.381 -63.164 0.000) 93.089 36.917 ( -3.816 -0.389 0.000) 3.835 36.919 ( -2.351 -0.374 0.000) 2.380======================= Grid point 11 (8/125) =======================q-point: ( 0.22 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 22.322 10.203 0.000) 24.543 1.165 ( 10.359 37.575 0.000) 38.977 2.745 ( -1.210 -1.332 0.000) 1.799 2.764 ( 44.040 0.570 0.000) 44.044 2.952 ( -10.641 2.275 0.000) 10.881 3.112 ( 3.352 9.982 0.000) 10.530 3.234 ( -7.411 1.957 0.000) 7.665 3.674 ( 1.475 7.674 0.000) 7.815 4.083 ( -3.359 -13.236 0.000) 13.656 4.261 ( 5.908 -1.754 0.000) 6.163 4.305 ( -4.584 -5.497 0.000) 7.158 4.432 ( 10.780 3.389 0.000) 11.300 5.303 ( -3.158 3.367 0.000) 4.616 5.344 ( 5.459 2.799 0.000) 6.135 5.791 ( 3.204 3.622 0.000) 4.836 5.835 ( 3.744 -0.926 0.000) 3.857 5.950 ( 27.395 -7.460 0.000) 28.393 6.249 ( -3.236 6.156 0.000) 6.955 6.516 ( 2.017 4.136 0.000) 4.601 6.764 ( 3.235 6.810 0.000) 7.539 7.001 ( 13.015 8.243 0.000) 15.406 7.459 ( -13.887 -15.123 0.000) 20.532 7.609 ( 1.832 -4.800 0.000) 5.137 7.721 ( 0.184 -2.760 0.000) 2.766 7.967 ( 2.262 1.598 0.000) 2.770 7.977 ( -1.640 -12.594 0.000) 12.700 8.048 ( -2.693 1.259 0.000) 2.972 8.090 ( -0.235 -3.884 0.000) 3.891 9.175 ( -5.494 17.151 0.000) 18.009 9.827 ( -15.462 5.459 0.000) 16.397 16.036 ( 5.352 -0.461 0.000) 5.372 16.152 ( 3.158 -0.670 0.000) 3.228 17.477 ( 0.020 -0.632 0.000) 0.633 17.500 ( -0.972 -0.174 0.000) 0.988 22.688 ( -1.201 2.322 0.000) 2.614 22.710 ( -0.525 0.491 0.000) 0.719 26.458 ( -1.372 -1.106 0.000) 1.762 26.475 ( -2.062 -0.168 0.000) 2.069 35.456 ( 15.321 -3.232 0.000) 15.659 36.463 ( 15.632 -35.767 0.000) 39.034 36.827 ( -4.043 -2.353 0.000) 4.678 36.860 ( -3.293 -0.889 0.000) 3.411======================= Grid point 12 (9/125) =======================q-point: ( 0.33 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 15.842 30.584 0.000) 34.443 1.533 ( 23.797 6.290 0.000) 24.614 2.641 ( -18.772 12.937 0.000) 22.798 2.747 ( 1.241 2.489 0.000) 2.781 2.846 ( -11.107 2.676 0.000) 11.425 3.018 ( -9.681 7.248 0.000) 12.094 3.687 ( 19.994 -2.821 0.000) 20.192 3.747 ( 4.375 2.800 0.000) 5.194 4.041 ( -0.650 -11.743 0.000) 11.761 4.203 ( -5.137 -7.033 0.000) 8.710 4.562 ( 27.164 -0.781 0.000) 27.175 4.665 ( 11.874 0.909 0.000) 11.909 5.251 ( -1.893 3.572 0.000) 4.043 5.437 ( 3.902 1.936 0.000) 4.356 5.764 ( -1.438 0.617 0.000) 1.564 6.000 ( 9.448 3.699 0.000) 10.146 6.097 ( -5.602 3.486 0.000) 6.598 6.480 ( 14.041 -10.520 0.000) 17.545 6.565 ( 2.525 1.370 0.000) 2.873 6.910 ( 12.789 9.925 0.000) 16.188 7.113 ( -14.929 -8.758 0.000) 17.308 7.295 ( 11.671 7.752 0.000) 14.011 7.656 ( 2.838 -8.178 0.000) 8.657 7.690 ( -3.371 -3.032 0.000) 4.534 7.915 ( -6.871 7.517 0.000) 10.184 7.926 ( -3.577 -11.331 0.000) 11.882 8.055 ( 3.107 3.893 0.000) 4.981 8.085 ( 0.183 -3.355 0.000) 3.360 9.079 ( -3.301 12.609 0.000) 13.034 9.536 ( -14.460 0.294 0.000) 14.463 16.140 ( 4.791 -0.251 0.000) 4.798 16.211 ( 2.456 -0.509 0.000) 2.508 17.477 ( -0.029 -0.508 0.000) 0.509 17.484 ( -0.629 -0.120 0.000) 0.640 22.677 ( -0.079 1.052 0.000) 1.055 22.699 ( -0.579 0.405 0.000) 0.707 26.432 ( -1.180 -0.817 0.000) 1.435 26.437 ( -1.614 -0.130 0.000) 1.619 35.781 ( 16.611 -3.276 0.000) 16.931 36.517 ( -6.051 -10.598 0.000) 12.204 36.802 ( -2.173 -1.871 0.000) 2.867 36.804 ( 0.568 -9.646 0.000) 9.663======================= Grid point 13 (10/125) =======================q-point: ( 0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( 18.742 22.036 0.000) 28.929 1.968 ( 14.603 3.315 0.000) 14.974 2.281 ( -11.650 20.158 0.000) 23.282 2.516 ( -20.029 5.571 0.000) 20.790 2.795 ( 3.460 4.800 0.000) 5.917 2.880 ( -5.134 6.441 0.000) 8.237 3.820 ( 2.765 1.057 0.000) 2.961 3.843 ( 1.138 -0.774 0.000) 1.376 4.053 ( 1.783 -9.851 0.000) 10.011 4.111 ( -3.918 -8.338 0.000) 9.213 4.882 ( 9.496 -1.482 0.000) 9.611 4.988 ( 3.417 -6.072 0.000) 6.967 5.335 ( 13.443 8.268 0.000) 15.782 5.480 ( -0.574 3.471 0.000) 3.518 5.785 ( 5.041 -3.509 0.000) 6.142 5.952 ( -8.938 0.601 0.000) 8.959 6.231 ( 15.295 4.432 0.000) 15.924 6.573 ( -6.180 -6.400 0.000) 8.897 6.606 ( 1.548 -1.106 0.000) 1.902 6.674 ( -16.013 -1.333 0.000) 16.068 7.314 ( 17.452 2.712 0.000) 17.662 7.540 ( 11.376 7.981 0.000) 13.897 7.572 ( -8.713 -2.619 0.000) 9.098 7.726 ( 0.007 -1.261 0.000) 1.261 7.755 ( -4.915 0.710 0.000) 4.966 7.837 ( -5.137 -9.812 0.000) 11.075 8.106 ( 1.462 0.224 0.000) 1.479 8.109 ( 1.554 4.500 0.000) 4.761 9.081 ( 4.404 6.139 0.000) 7.555 9.259 ( -12.638 0.918 0.000) 12.672 16.215 ( 2.631 -0.261 0.000) 2.644 16.239 ( 0.213 -0.362 0.000) 0.420 17.476 ( -0.068 -0.284 0.000) 0.292 17.476 ( -0.157 -0.140 0.000) 0.211 22.680 ( 0.320 0.567 0.000) 0.651 22.688 ( -0.506 0.406 0.000) 0.649 26.415 ( -0.486 -0.431 0.000) 0.649 26.415 ( -0.578 -0.189 0.000) 0.608 36.091 ( 14.267 -3.758 0.000) 14.754 36.340 ( -10.885 -5.005 0.000) 11.981 36.782 ( 0.154 -3.661 0.000) 3.664 36.799 ( -1.061 -6.749 0.000) 6.831======================= Grid point 18 (11/125) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( 0.000 15.459 0.000) 15.459 1.003 ( 0.000 26.941 0.000) 26.941 2.096 ( 0.000 41.648 0.000) 41.648 2.333 ( 0.000 -26.442 0.000) 26.442 2.998 ( 0.000 5.850 0.000) 5.850 3.333 ( 0.000 -11.312 0.000) 11.312 3.722 ( 0.000 -6.493 0.000) 6.493 3.957 ( 0.000 -1.908 0.000) 1.908 4.056 ( 0.000 3.396 0.000) 3.396 4.085 ( 0.000 9.890 0.000) 9.890 4.328 ( 0.000 -6.540 0.000) 6.540 4.393 ( 0.000 15.279 0.000) 15.279 5.202 ( 0.000 2.844 0.000) 2.844 5.303 ( 0.000 6.931 0.000) 6.931 5.305 ( 0.000 -5.040 0.000) 5.040 5.591 ( 0.000 3.060 0.000) 3.060 5.982 ( 0.000 5.077 0.000) 5.077 6.557 ( 0.000 4.952 0.000) 4.952 6.601 ( 0.000 2.347 0.000) 2.347 6.778 ( 0.000 13.209 0.000) 13.209 6.817 ( 0.000 -9.784 0.000) 9.784 7.223 ( 0.000 -17.613 0.000) 17.613 7.526 ( 0.000 -2.219 0.000) 2.219 7.568 ( 0.000 0.179 0.000) 0.179 7.629 ( 0.000 -4.508 0.000) 4.508 7.878 ( 0.000 -5.904 0.000) 5.904 7.956 ( 0.000 -5.947 0.000) 5.947 7.960 ( 0.000 -8.105 0.000) 8.105 9.720 ( 0.000 18.375 0.000) 18.375 10.625 ( 0.000 -4.548 0.000) 4.548 15.891 ( 0.000 1.461 0.000) 1.461 16.050 ( 0.000 -1.550 0.000) 1.550 17.488 ( 0.000 0.175 0.000) 0.175 17.519 ( 0.000 -0.417 0.000) 0.417 22.741 ( 0.000 1.166 0.000) 1.166 22.857 ( 0.000 -1.001 0.000) 1.001 26.507 ( 0.000 -0.027 0.000) 0.027 26.522 ( 0.000 -0.331 0.000) 0.331 34.375 ( 0.000 5.404 0.000) 5.404 35.002 ( 0.000 -6.481 0.000) 6.481 36.938 ( 0.000 -0.278 0.000) 0.278 36.948 ( 0.000 -0.487 0.000) 0.487======================= Grid point 19 (12/125) =======================q-point: ( 0.11 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 9.953 24.101 0.000) 26.075 1.353 ( 44.086 8.277 0.000) 44.856 2.210 ( 15.887 35.061 0.000) 38.492 2.456 ( 10.477 -19.983 0.000) 22.563 3.010 ( 1.186 4.501 0.000) 4.655 3.303 ( -3.013 -11.282 0.000) 11.677 3.534 ( -13.519 7.220 0.000) 15.326 3.911 ( -3.395 -3.034 0.000) 4.553 4.007 ( -5.142 8.202 0.000) 9.681 4.157 ( 4.900 4.132 0.000) 6.410 4.276 ( -4.876 -7.733 0.000) 9.142 4.418 ( 3.620 12.703 0.000) 13.209 5.315 ( 4.165 -3.536 0.000) 5.464 5.332 ( 0.317 -5.248 0.000) 5.258 5.410 ( 16.243 9.203 0.000) 18.670 5.643 ( 6.258 1.810 0.000) 6.514 5.961 ( -2.172 4.815 0.000) 5.282 6.491 ( -5.118 6.678 0.000) 8.414 6.598 ( -0.019 4.077 0.000) 4.077 6.786 ( 1.648 -5.276 0.000) 5.527 6.950 ( 10.722 5.602 0.000) 12.097 7.187 ( -3.356 -13.819 0.000) 14.220 7.532 ( -1.320 -2.128 0.000) 2.504 7.647 ( 1.352 -2.990 0.000) 3.281 7.714 ( 12.870 -5.770 0.000) 14.104 7.841 ( -2.820 -6.161 0.000) 6.776 7.977 ( 1.215 -5.966 0.000) 6.089 7.983 ( 2.491 -6.590 0.000) 7.045 9.666 ( -5.283 17.580 0.000) 18.356 10.379 ( -20.899 2.010 0.000) 20.995 15.935 ( 4.019 0.778 0.000) 4.093 16.073 ( 2.285 -1.453 0.000) 2.708 17.477 ( -0.776 0.157 0.000) 0.792 17.512 ( -0.712 -0.401 0.000) 0.817 22.737 ( -0.468 1.054 0.000) 1.153 22.801 ( -4.164 1.070 0.000) 4.299 26.478 ( -2.187 0.005 0.000) 2.187 26.506 ( -1.466 -0.352 0.000) 1.508 34.956 ( 45.608 -16.725 0.000) 48.578 35.104 ( 9.906 -5.931 0.000) 11.546 36.908 ( -3.896 -0.476 0.000) 3.925 36.909 ( -2.793 -0.517 0.000) 2.841======================= Grid point 20 (13/125) =======================q-point: ( 0.22 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 16.612 18.527 0.000) 24.884 1.854 ( 11.545 25.019 0.000) 27.554 2.661 ( 8.708 -6.339 0.000) 10.771 2.865 ( 39.784 8.343 0.000) 40.649 3.028 ( -0.426 4.427 0.000) 4.447 3.233 ( -1.738 -5.136 0.000) 5.422 3.301 ( -10.133 8.560 0.000) 13.265 3.837 ( -3.518 -5.254 0.000) 6.323 3.889 ( -5.158 10.949 0.000) 12.103 4.158 ( -6.679 -8.212 0.000) 10.585 4.279 ( 8.499 4.154 0.000) 9.460 4.536 ( 7.728 7.366 0.000) 10.677 5.306 ( -1.835 -2.247 0.000) 2.901 5.399 ( 4.738 1.703 0.000) 5.035 5.818 ( 21.174 -4.503 0.000) 21.648 5.826 ( 11.153 -0.746 0.000) 11.178 5.898 ( -3.907 4.712 0.000) 6.121 6.381 ( -5.530 5.150 0.000) 7.557 6.601 ( 0.135 4.424 0.000) 4.426 6.855 ( 5.162 -9.623 0.000) 10.920 7.078 ( -3.849 -6.782 0.000) 7.798 7.215 ( 12.346 11.446 0.000) 16.835 7.500 ( -1.699 -5.116 0.000) 5.390 7.659 ( -0.134 -2.893 0.000) 2.897 7.785 ( -2.618 -6.420 0.000) 6.933 7.940 ( 8.985 -4.084 0.000) 9.870 7.988 ( -0.193 -5.969 0.000) 5.972 8.049 ( 2.999 -1.970 0.000) 3.588 9.523 ( -8.703 15.340 0.000) 17.637 9.941 ( -21.256 4.673 0.000) 21.763 16.033 ( 5.392 0.236 0.000) 5.397 16.133 ( 3.400 -1.200 0.000) 3.605 17.467 ( -0.209 -0.196 0.000) 0.287 17.495 ( -0.884 -0.332 0.000) 0.945 22.724 ( -0.707 0.810 0.000) 1.076 22.733 ( -2.437 1.740 0.000) 2.994 26.440 ( -1.569 -0.464 0.000) 1.636 26.470 ( -2.002 -0.342 0.000) 2.031 35.368 ( 15.742 -4.939 0.000) 16.499 35.756 ( 30.782 -27.404 0.000) 41.213 36.806 ( -5.922 -0.596 0.000) 5.952 36.836 ( -4.216 -1.232 0.000) 4.392======================= Grid point 21 (14/125) =======================q-point: ( 0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 19.248 13.162 0.000) 23.318 2.042 ( 9.051 24.408 0.000) 26.032 2.777 ( 2.075 1.787 0.000) 2.739 2.973 ( -3.666 15.220 0.000) 15.655 3.023 ( -11.789 14.446 0.000) 18.646 3.140 ( -4.562 3.412 0.000) 5.697 3.593 ( 19.139 -7.556 0.000) 20.577 3.800 ( 0.752 -7.201 0.000) 7.241 3.836 ( -0.529 5.215 0.000) 5.242 4.022 ( -6.649 -9.196 0.000) 11.348 4.559 ( 19.989 1.178 0.000) 20.024 4.703 ( 8.579 3.188 0.000) 9.152 5.295 ( 1.772 0.010 0.000) 1.772 5.497 ( 4.888 3.749 0.000) 6.160 5.810 ( -4.524 4.183 0.000) 6.161 6.059 ( -1.817 -10.773 0.000) 10.926 6.070 ( 13.033 1.030 0.000) 13.074 6.351 ( 5.566 -0.404 0.000) 5.580 6.596 ( -0.785 2.232 0.000) 2.366 6.847 ( -8.339 -13.712 0.000) 16.048 7.145 ( 12.955 11.619 0.000) 17.402 7.456 ( 10.193 5.254 0.000) 11.467 7.470 ( -1.297 -7.939 0.000) 8.044 7.650 ( -0.449 -1.684 0.000) 1.743 7.749 ( -0.762 -3.328 0.000) 3.414 7.986 ( 1.104 -5.662 0.000) 5.769 8.044 ( -2.598 1.950 0.000) 3.248 8.092 ( 4.951 0.826 0.000) 5.020 9.346 ( -8.348 11.904 0.000) 14.540 9.563 ( -16.651 2.424 0.000) 16.827 16.136 ( 4.731 -0.002 0.000) 4.731 16.196 ( 2.717 -0.870 0.000) 2.853 17.467 ( 0.104 -0.355 0.000) 0.370 17.480 ( -0.570 -0.231 0.000) 0.615 22.702 ( -0.838 1.199 0.000) 1.462 22.710 ( -0.671 0.613 0.000) 0.909 26.416 ( -0.876 -0.568 0.000) 1.043 26.433 ( -1.574 -0.264 0.000) 1.596 35.693 ( 16.223 -4.696 0.000) 16.889 36.149 ( 9.505 -20.336 0.000) 22.448 36.700 ( -3.904 -1.980 0.000) 4.378 36.755 ( -3.718 -2.436 0.000) 4.445======================= Grid point 22 (15/125) =======================q-point: ( 0.44 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( 15.028 8.592 0.000) 17.311 2.202 ( 4.902 14.988 0.000) 15.770 2.708 ( -5.430 15.548 0.000) 16.469 2.760 ( -11.556 17.090 0.000) 20.630 2.982 ( 3.645 16.081 0.000) 16.489 3.062 ( -3.981 11.847 0.000) 12.498 3.760 ( 3.651 -11.348 0.000) 11.921 3.823 ( -1.982 -4.976 0.000) 5.357 3.866 ( 3.199 -2.672 0.000) 4.169 3.916 ( -3.362 -5.495 0.000) 6.442 4.853 ( 5.752 -0.855 0.000) 5.815 4.874 ( 6.307 -4.383 0.000) 7.680 5.454 ( 14.353 0.326 0.000) 14.357 5.579 ( 2.655 5.647 0.000) 6.240 5.733 ( -2.259 0.993 0.000) 2.468 5.869 ( -13.627 -10.256 0.000) 17.056 6.337 ( 13.605 4.172 0.000) 14.230 6.475 ( 4.176 -1.915 0.000) 4.594 6.567 ( -2.109 -1.739 0.000) 2.733 6.628 ( -12.109 -2.556 0.000) 12.376 7.388 ( 7.363 2.207 0.000) 7.687 7.449 ( -1.042 -7.835 0.000) 7.904 7.612 ( 5.917 -3.090 0.000) 6.675 7.649 ( 0.211 -0.878 0.000) 0.903 7.760 ( 3.282 5.457 0.000) 6.368 7.917 ( -9.135 7.111 0.000) 11.576 8.067 ( 6.197 -2.734 0.000) 6.773 8.148 ( -0.518 -0.363 0.000) 0.632 9.231 ( -2.058 7.417 0.000) 7.697 9.300 ( -9.074 3.026 0.000) 9.565 16.209 ( 2.466 -0.244 0.000) 2.478 16.230 ( 0.442 -0.538 0.000) 0.696 17.469 ( 0.120 -0.274 0.000) 0.299 17.472 ( -0.224 -0.194 0.000) 0.296 22.695 ( -0.011 0.761 0.000) 0.761 22.699 ( -0.430 0.579 0.000) 0.721 26.405 ( -0.165 -0.378 0.000) 0.413 26.410 ( -0.702 -0.241 0.000) 0.742 35.984 ( 12.620 -6.035 0.000) 13.989 36.173 ( -5.581 -10.532 0.000) 11.919 36.669 ( 0.432 -4.671 0.000) 4.691 36.696 ( -2.142 -4.030 0.000) 4.564======================= Grid point 27 (16/125) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 0.000 17.421 0.000) 17.421 1.590 ( 0.000 29.368 0.000) 29.368 1.807 ( 0.000 -23.961 0.000) 23.961 2.688 ( 0.000 2.446 0.000) 2.446 2.952 ( 0.000 -8.710 0.000) 8.710 3.095 ( 0.000 2.777 0.000) 2.777 3.774 ( 0.000 7.747 0.000) 7.747 3.939 ( 0.000 0.425 0.000) 0.425 4.047 ( 0.000 -2.944 0.000) 2.944 4.147 ( 0.000 -9.244 0.000) 9.244 4.463 ( 0.000 25.475 0.000) 25.475 4.753 ( 0.000 16.587 0.000) 16.587 5.162 ( 0.000 -1.543 0.000) 1.543 5.214 ( 0.000 -3.579 0.000) 3.579 5.552 ( 0.000 -5.641 0.000) 5.641 5.605 ( 0.000 15.783 0.000) 15.783 6.021 ( 0.000 -1.986 0.000) 1.986 6.204 ( 0.000 -37.262 0.000) 37.262 6.651 ( 0.000 3.628 0.000) 3.628 6.665 ( 0.000 3.012 0.000) 3.012 7.051 ( 0.000 12.687 0.000) 12.687 7.263 ( 0.000 10.581 0.000) 10.581 7.472 ( 0.000 -5.579 0.000) 5.579 7.543 ( 0.000 -0.741 0.000) 0.741 7.592 ( 0.000 2.374 0.000) 2.374 7.740 ( 0.000 -7.017 0.000) 7.017 7.761 ( 0.000 -10.674 0.000) 10.674 7.822 ( 0.000 -6.782 0.000) 6.782 10.061 ( 0.000 14.373 0.000) 14.373 10.503 ( 0.000 -7.286 0.000) 7.286 15.927 ( 0.000 1.924 0.000) 1.924 16.012 ( 0.000 -1.986 0.000) 1.986 17.493 ( 0.000 0.296 0.000) 0.296 17.510 ( 0.000 -0.466 0.000) 0.466 22.769 ( 0.000 1.484 0.000) 1.484 22.832 ( 0.000 -1.366 0.000) 1.366 26.508 ( 0.000 0.050 0.000) 0.050 26.515 ( 0.000 -0.303 0.000) 0.303 34.509 ( 0.000 7.368 0.000) 7.368 34.848 ( 0.000 -8.129 0.000) 8.129 36.933 ( 0.000 -0.147 0.000) 0.147 36.938 ( 0.000 -0.393 0.000) 0.393======================= Grid point 28 (17/125) =======================q-point: ( 0.11 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 41.772 8.674 0.000) 42.663 1.646 ( 5.662 27.434 0.000) 28.012 2.060 ( 22.067 -17.387 0.000) 28.094 2.701 ( 2.638 -1.510 0.000) 3.039 2.962 ( 1.467 -5.956 0.000) 6.134 3.090 ( -0.255 2.273 0.000) 2.287 3.713 ( -5.853 9.741 0.000) 11.365 3.943 ( -0.366 2.809 0.000) 2.833 4.059 ( 0.001 -2.342 0.000) 2.342 4.104 ( -3.833 -7.878 0.000) 8.761 4.448 ( -0.179 23.945 0.000) 23.945 4.742 ( -0.483 16.232 0.000) 16.239 5.234 ( 6.955 -2.203 0.000) 7.296 5.239 ( 1.597 -3.352 0.000) 3.713 5.582 ( 3.673 -7.015 0.000) 7.919 5.643 ( 3.446 8.894 0.000) 9.539 6.016 ( -0.795 -0.167 0.000) 0.812 6.214 ( 0.698 -32.655 0.000) 32.662 6.633 ( -0.732 5.026 0.000) 5.079 6.683 ( 1.340 3.384 0.000) 3.639 7.121 ( 5.250 10.184 0.000) 11.458 7.302 ( 4.667 12.106 0.000) 12.975 7.484 ( -3.007 -3.938 0.000) 4.955 7.569 ( 4.915 -3.226 0.000) 5.880 7.643 ( 5.708 -0.404 0.000) 5.722 7.712 ( -2.049 -6.159 0.000) 6.491 7.815 ( 5.369 -9.225 0.000) 10.674 7.841 ( 1.248 -6.750 0.000) 6.865 9.987 ( -7.187 13.232 0.000) 15.058 10.350 ( -14.310 -4.189 0.000) 14.911 15.961 ( 3.303 1.613 0.000) 3.675 16.039 ( 2.523 -1.848 0.000) 3.128 17.483 ( -0.834 0.376 0.000) 0.915 17.502 ( -0.696 -0.484 0.000) 0.848 22.761 ( -0.777 1.262 0.000) 1.482 22.805 ( -2.375 -0.503 0.000) 2.428 26.482 ( -2.156 0.305 0.000) 2.177 26.498 ( -1.560 -0.412 0.000) 1.614 34.800 ( 25.863 -1.040 0.000) 25.884 34.971 ( 11.717 -6.596 0.000) 13.446 36.899 ( -3.835 -0.331 0.000) 3.849 36.899 ( -3.276 -0.359 0.000) 3.295======================= Grid point 29 (18/125) =======================q-point: ( 0.22 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 10.737 22.575 0.000) 24.998 2.177 ( 19.253 8.126 0.000) 20.897 2.521 ( 20.974 -6.107 0.000) 21.845 2.883 ( 14.617 -18.761 0.000) 23.783 3.056 ( 11.366 2.959 0.000) 11.745 3.105 ( 2.577 2.455 0.000) 3.559 3.560 ( -8.903 13.350 0.000) 16.046 3.904 ( -3.507 7.617 0.000) 8.386 3.973 ( -7.473 -8.235 0.000) 11.120 4.048 ( -2.926 2.343 0.000) 3.749 4.497 ( 5.342 18.362 0.000) 19.124 4.755 ( 1.953 12.599 0.000) 12.749 5.254 ( -0.054 -2.147 0.000) 2.147 5.412 ( 9.917 0.463 0.000) 9.928 5.716 ( 2.881 -9.605 0.000) 10.027 5.723 ( 10.601 -8.867 0.000) 13.820 5.985 ( -2.181 3.191 0.000) 3.865 6.225 ( 0.898 -18.603 0.000) 18.625 6.652 ( 2.437 2.771 0.000) 3.690 6.697 ( -0.262 3.968 0.000) 3.977 7.219 ( 5.483 9.864 0.000) 11.285 7.416 ( -3.492 -2.701 0.000) 4.414 7.436 ( 6.029 8.389 0.000) 10.331 7.608 ( 0.687 -2.147 0.000) 2.255 7.698 ( 2.350 -0.924 0.000) 2.525 7.822 ( 9.200 -6.258 0.000) 11.127 7.857 ( 0.280 -6.023 0.000) 6.030 7.960 ( 8.414 -6.319 0.000) 10.522 9.792 ( -11.837 10.421 0.000) 15.770 9.997 ( -19.682 0.413 0.000) 19.686 16.046 ( 4.895 1.039 0.000) 5.004 16.104 ( 3.792 -1.486 0.000) 4.073 17.469 ( -0.511 0.281 0.000) 0.583 17.487 ( -0.781 -0.450 0.000) 0.902 22.742 ( -1.059 0.817 0.000) 1.337 22.756 ( -2.227 0.474 0.000) 2.277 26.439 ( -1.889 0.319 0.000) 1.915 26.461 ( -1.969 -0.511 0.000) 2.034 35.271 ( 17.329 -3.770 0.000) 17.734 35.361 ( 27.092 -11.462 0.000) 29.417 36.797 ( -6.043 -0.203 0.000) 6.046 36.813 ( -5.143 -0.962 0.000) 5.232======================= Grid point 30 (19/125) =======================q-point: ( 0.33 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( 13.188 16.452 0.000) 21.085 2.369 ( 4.419 7.546 0.000) 8.745 2.802 ( 7.310 1.021 0.000) 7.381 3.073 ( 6.077 -10.634 0.000) 12.248 3.226 ( 9.273 8.369 0.000) 12.491 3.295 ( -3.125 5.062 0.000) 5.949 3.508 ( 11.522 5.361 0.000) 12.708 3.795 ( -10.184 -8.348 0.000) 13.168 3.825 ( -3.242 8.110 0.000) 8.733 3.982 ( -3.186 3.691 0.000) 4.876 4.655 ( 10.105 9.377 0.000) 13.785 4.811 ( 3.356 7.030 0.000) 7.790 5.258 ( 1.190 -3.035 0.000) 3.260 5.577 ( 5.290 0.697 0.000) 5.336 5.716 ( -2.678 -17.094 0.000) 17.303 5.892 ( -1.156 -0.097 0.000) 1.160 6.031 ( 13.750 -0.994 0.000) 13.786 6.291 ( 6.136 -7.351 0.000) 9.575 6.667 ( -2.742 3.802 0.000) 4.688 6.686 ( -0.275 -0.484 0.000) 0.557 7.350 ( 4.705 4.424 0.000) 6.458 7.352 ( -2.876 -3.148 0.000) 4.264 7.493 ( 4.254 3.662 0.000) 5.613 7.625 ( 1.236 -0.550 0.000) 1.353 7.790 ( 1.686 1.495 0.000) 2.253 7.899 ( 7.254 0.935 0.000) 7.314 7.961 ( 4.173 -7.425 0.000) 8.518 8.103 ( 5.131 -1.743 0.000) 5.419 9.547 ( -11.966 7.172 0.000) 13.950 9.622 ( -16.993 2.495 0.000) 17.175 16.141 ( 4.336 0.508 0.000) 4.366 16.176 ( 3.165 -1.007 0.000) 3.321 17.464 ( -0.012 0.052 0.000) 0.053 17.474 ( -0.440 -0.309 0.000) 0.537 22.722 ( -1.155 0.653 0.000) 1.327 22.722 ( -0.848 0.491 0.000) 0.980 26.411 ( -0.944 0.097 0.000) 0.949 26.426 ( -1.436 -0.401 0.000) 1.491 35.611 ( 15.916 -2.498 0.000) 16.111 35.791 ( 15.409 -13.050 0.000) 20.193 36.678 ( -5.366 -0.348 0.000) 5.377 36.709 ( -4.952 -1.814 0.000) 5.274======================= Grid point 31 (20/125) =======================q-point: ( 0.44 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.297 ( 9.890 9.607 0.000) 13.788 2.406 ( -1.113 5.832 0.000) 5.937 2.895 ( 4.372 5.904 0.000) 7.347 3.028 ( -8.461 6.867 0.000) 10.897 3.331 ( 8.382 3.428 0.000) 9.056 3.403 ( 6.244 19.050 0.000) 20.047 3.591 ( -8.695 -12.206 0.000) 14.987 3.593 ( -3.705 4.923 0.000) 6.161 3.853 ( 4.685 0.207 0.000) 4.689 3.926 ( -2.770 1.633 0.000) 3.216 4.835 ( 5.909 1.571 0.000) 6.114 4.868 ( 1.610 2.707 0.000) 3.150 5.335 ( 7.280 -9.140 0.000) 11.685 5.517 ( -9.211 -17.670 0.000) 19.926 5.738 ( 4.238 5.493 0.000) 6.938 5.823 ( -4.192 4.741 0.000) 6.328 6.340 ( 14.284 -2.476 0.000) 14.497 6.428 ( 5.830 -4.171 0.000) 7.169 6.594 ( -4.151 3.564 0.000) 5.471 6.617 ( -6.343 1.742 0.000) 6.578 7.313 ( -0.621 -4.537 0.000) 4.579 7.335 ( -2.553 -4.713 0.000) 5.360 7.659 ( 2.057 1.669 0.000) 2.649 7.663 ( 5.394 6.662 0.000) 8.572 7.806 ( 4.896 -2.686 0.000) 5.584 7.954 ( -5.252 -4.028 0.000) 6.619 8.070 ( 7.376 3.664 0.000) 8.236 8.151 ( -0.539 1.189 0.000) 1.306 9.361 ( -5.553 4.602 0.000) 7.212 9.371 ( -7.090 3.281 0.000) 7.812 16.207 ( 2.059 0.010 0.000) 2.059 16.219 ( 0.880 -0.495 0.000) 1.009 17.466 ( 0.132 -0.080 0.000) 0.155 17.469 ( -0.181 -0.168 0.000) 0.247 22.708 ( -0.258 0.514 0.000) 0.575 22.710 ( -0.380 0.409 0.000) 0.559 26.401 ( -0.130 -0.060 0.000) 0.143 26.406 ( -0.638 -0.209 0.000) 0.671 35.870 ( 9.518 -4.109 0.000) 10.367 35.958 ( 1.467 -8.763 0.000) 8.885 36.608 ( -1.250 -1.507 0.000) 1.958 36.628 ( -2.908 -2.377 0.000) 3.756======================= Grid point 36 (21/125) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 0.000 -20.552 0.000) 20.552 1.344 ( 0.000 20.552 0.000) 20.552 2.209 ( 0.000 -29.703 0.000) 29.703 2.209 ( 0.000 29.703 0.000) 29.703 3.082 ( 0.000 -4.863 0.000) 4.863 3.082 ( 0.000 4.863 0.000) 4.863 3.955 ( 0.000 -9.120 0.000) 9.120 3.955 ( 0.000 9.120 0.000) 9.120 3.977 ( 0.000 -3.050 0.000) 3.050 3.977 ( 0.000 3.050 0.000) 3.050 4.937 ( 0.000 -7.509 0.000) 7.509 4.937 ( 0.000 7.509 0.000) 7.509 5.161 ( 0.000 -1.392 0.000) 1.392 5.161 ( 0.000 1.392 0.000) 1.392 5.547 ( 0.000 -16.402 0.000) 16.402 5.547 ( 0.000 16.402 0.000) 16.402 5.888 ( 0.000 -10.590 0.000) 10.590 5.888 ( 0.000 10.590 0.000) 10.590 6.695 ( 0.000 -0.389 0.000) 0.389 6.695 ( 0.000 0.389 0.000) 0.389 7.294 ( 0.000 -10.483 0.000) 10.483 7.294 ( 0.000 10.483 0.000) 10.483 7.508 ( 0.000 -11.956 0.000) 11.956 7.508 ( 0.000 11.956 0.000) 11.956 7.605 ( 0.000 -5.437 0.000) 5.437 7.605 ( 0.000 5.437 0.000) 5.437 7.690 ( 0.000 -5.385 0.000) 5.385 7.690 ( 0.000 5.385 0.000) 5.385 10.319 ( 0.000 -10.554 0.000) 10.554 10.319 ( 0.000 10.554 0.000) 10.554 15.969 ( 0.000 -2.111 0.000) 2.111 15.969 ( 0.000 2.111 0.000) 2.111 17.501 ( 0.000 -0.410 0.000) 0.410 17.501 ( 0.000 0.410 0.000) 0.410 22.801 ( 0.000 -1.547 0.000) 1.547 22.801 ( 0.000 1.547 0.000) 1.547 26.510 ( 0.000 -0.182 0.000) 0.182 26.510 ( 0.000 0.182 0.000) 0.182 34.674 ( 0.000 -8.380 0.000) 8.380 34.674 ( 0.000 8.380 0.000) 8.380 36.933 ( 0.000 -0.127 0.000) 0.127 36.933 ( 0.000 0.127 0.000) 0.127======================= Grid point 38 (22/125) =======================q-point: ( 0.11 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 32.000 -12.878 0.000) 34.494 1.737 ( 32.000 12.878 0.000) 34.494 2.236 ( 3.456 -28.052 0.000) 28.264 2.236 ( 3.456 28.052 0.000) 28.264 3.076 ( -0.080 -4.252 0.000) 4.253 3.076 ( -0.080 4.252 0.000) 4.253 3.910 ( -4.379 -9.004 0.000) 10.012 3.910 ( -4.379 9.004 0.000) 10.012 4.008 ( 2.211 -3.537 0.000) 4.171 4.008 ( 2.211 3.537 0.000) 4.171 4.918 ( -1.521 -8.092 0.000) 8.234 4.918 ( -1.521 8.092 0.000) 8.234 5.217 ( 5.400 -1.341 0.000) 5.564 5.217 ( 5.400 1.341 0.000) 5.564 5.499 ( -3.141 -9.036 0.000) 9.566 5.499 ( -3.141 9.036 0.000) 9.566 5.953 ( 4.828 -4.527 0.000) 6.618 5.953 ( 4.828 4.527 0.000) 6.618 6.706 ( 1.006 -1.416 0.000) 1.737 6.706 ( 1.006 1.416 0.000) 1.737 7.330 ( 2.727 -9.487 0.000) 9.872 7.330 ( 2.727 9.487 0.000) 9.872 7.542 ( 1.408 -7.711 0.000) 7.839 7.542 ( 1.408 7.711 0.000) 7.839 7.611 ( 3.570 -0.853 0.000) 3.670 7.611 ( 3.570 0.853 0.000) 3.670 7.721 ( 2.641 -3.721 0.000) 4.563 7.721 ( 2.641 3.721 0.000) 4.563 10.215 ( -10.001 -8.743 0.000) 13.284 10.215 ( -10.001 8.743 0.000) 13.284 15.999 ( 2.847 -1.920 0.000) 3.434 15.999 ( 2.847 1.920 0.000) 3.434 17.492 ( -0.749 -0.476 0.000) 0.887 17.492 ( -0.749 0.476 0.000) 0.887 22.787 ( -1.348 -1.124 0.000) 1.755 22.787 ( -1.348 1.124 0.000) 1.755 26.490 ( -1.819 -0.400 0.000) 1.862 26.490 ( -1.819 0.400 0.000) 1.862 34.848 ( 16.181 -4.753 0.000) 16.865 34.848 ( 16.181 4.753 0.000) 16.865 36.895 ( -3.638 -0.010 0.000) 3.638 36.895 ( -3.638 0.010 0.000) 3.638======================= Grid point 40 (23/125) =======================q-point: ( 0.22 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.216 ( 9.667 -9.371 0.000) 13.464 2.216 ( 9.667 9.371 0.000) 13.464 2.493 ( 24.467 -9.721 0.000) 26.327 2.493 ( 24.467 9.720 0.000) 26.327 3.116 ( 5.564 -1.424 0.000) 5.743 3.116 ( 5.564 1.424 0.000) 5.743 3.790 ( -7.411 -9.321 0.000) 11.908 3.790 ( -7.411 9.321 0.000) 11.908 4.030 ( -0.519 -3.776 0.000) 3.811 4.030 ( -0.519 3.776 0.000) 3.811 4.892 ( -0.831 -7.570 0.000) 7.615 4.892 ( -0.831 7.570 0.000) 7.615 5.305 ( 0.220 -12.957 0.000) 12.959 5.305 ( 0.220 12.957 0.000) 12.959 5.531 ( 9.267 -6.177 0.000) 11.137 5.531 ( 9.267 6.177 0.000) 11.137 6.034 ( 3.258 -2.569 0.000) 4.149 6.034 ( 3.258 2.569 0.000) 4.149 6.724 ( 0.372 -1.758 0.000) 1.797 6.724 ( 0.372 1.758 0.000) 1.797 7.371 ( 0.644 -3.465 0.000) 3.524 7.371 ( 0.644 3.465 0.000) 3.524 7.543 ( 0.906 -4.096 0.000) 4.195 7.543 ( 0.906 4.096 0.000) 4.195 7.747 ( 4.873 -0.755 0.000) 4.931 7.747 ( 4.873 0.755 0.000) 4.931 7.812 ( 9.057 -5.913 0.000) 10.817 7.812 ( 9.057 5.913 0.000) 10.817 9.952 ( -15.608 -4.897 0.000) 16.358 9.952 ( -15.608 4.897 0.000) 16.358 16.073 ( 4.307 -1.457 0.000) 4.546 16.073 ( 4.307 1.457 0.000) 4.546 17.477 ( -0.677 -0.468 0.000) 0.823 17.477 ( -0.677 0.468 0.000) 0.823 22.755 ( -1.600 -0.409 0.000) 1.652 22.755 ( -1.600 0.409 0.000) 1.652 26.449 ( -1.974 -0.580 0.000) 2.057 26.449 ( -1.974 0.580 0.000) 2.057 35.238 ( 21.098 -1.318 0.000) 21.139 35.238 ( 21.098 1.318 0.000) 21.139 36.799 ( -5.772 -0.372 0.000) 5.784 36.799 ( -5.772 0.372 0.000) 5.784======================= Grid point 42 (24/125) =======================q-point: ( 0.33 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( 5.859 -9.496 0.000) 11.159 2.353 ( 5.859 9.496 0.000) 11.159 2.859 ( 11.241 -6.221 0.000) 12.847 2.859 ( 11.241 6.221 0.000) 12.847 3.320 ( 11.731 -1.211 0.000) 11.794 3.320 ( 11.731 1.211 0.000) 11.794 3.642 ( -5.812 -6.281 0.000) 8.557 3.642 ( -5.812 6.281 0.000) 8.557 3.988 ( -3.416 -4.171 0.000) 5.392 3.988 ( -3.416 4.171 0.000) 5.392 4.893 ( 0.991 -5.350 0.000) 5.441 4.893 ( 0.991 5.350 0.000) 5.441 5.264 ( -2.792 -10.448 0.000) 10.815 5.264 ( -2.792 10.448 0.000) 10.815 5.759 ( 9.280 -8.220 0.000) 12.397 5.759 ( 9.280 8.220 0.000) 12.397 6.127 ( 8.029 -7.319 0.000) 10.865 6.127 ( 8.029 7.319 0.000) 10.865 6.708 ( -2.093 -0.291 0.000) 2.113 6.708 ( -2.093 0.291 0.000) 2.113 7.338 ( -3.365 -1.450 0.000) 3.664 7.338 ( -3.365 1.450 0.000) 3.664 7.613 ( 5.594 -2.476 0.000) 6.118 7.613 ( 5.594 2.476 0.000) 6.118 7.802 ( 1.722 -5.173 0.000) 5.452 7.802 ( 1.722 5.173 0.000) 5.452 8.015 ( 9.287 -6.192 0.000) 11.162 8.015 ( 9.287 6.192 0.000) 11.162 9.637 ( -14.941 -1.532 0.000) 15.019 9.637 ( -14.941 1.532 0.000) 15.019 16.156 ( 3.747 -0.888 0.000) 3.851 16.156 ( 3.747 0.888 0.000) 3.851 17.468 ( -0.237 -0.285 0.000) 0.371 17.468 ( -0.237 0.285 0.000) 0.371 22.728 ( -1.066 -0.025 0.000) 1.067 22.728 ( -1.066 0.025 0.000) 1.067 26.417 ( -1.200 -0.425 0.000) 1.273 26.417 ( -1.200 0.425 0.000) 1.273 35.618 ( 16.066 -3.855 0.000) 16.522 35.618 ( 16.066 3.855 0.000) 16.522 36.682 ( -5.509 -0.744 0.000) 5.559 36.682 ( -5.509 0.744 0.000) 5.559======================= Grid point 44 (25/125) =======================q-point: ( 0.44 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.441 ( 2.517 -2.984 0.000) 3.904 2.441 ( 2.517 2.984 0.000) 3.904 3.020 ( 5.505 -6.046 0.000) 8.177 3.020 ( 5.505 6.046 0.000) 8.177 3.367 ( -4.194 -7.378 0.000) 8.487 3.367 ( -4.194 7.378 0.000) 8.487 3.677 ( 5.970 -5.406 0.000) 8.054 3.677 ( 5.970 5.406 0.000) 8.054 3.912 ( -3.503 -3.970 0.000) 5.295 3.912 ( -3.504 3.970 0.000) 5.295 4.922 ( 1.291 -1.818 0.000) 2.230 4.922 ( 1.291 1.818 0.000) 2.230 5.217 ( -1.522 -4.195 0.000) 4.462 5.217 ( -1.522 4.195 0.000) 4.462 5.845 ( 1.041 -3.088 0.000) 3.258 5.845 ( 1.041 3.088 0.000) 3.258 6.337 ( 9.593 -3.023 0.000) 10.058 6.337 ( 9.593 3.023 0.000) 10.058 6.643 ( -3.910 -0.383 0.000) 3.929 6.643 ( -3.910 0.383 0.000) 3.929 7.273 ( -2.301 -0.697 0.000) 2.405 7.273 ( -2.301 0.697 0.000) 2.405 7.719 ( 3.853 -4.084 0.000) 5.615 7.719 ( 3.853 4.084 0.000) 5.614 7.819 ( 0.014 -7.668 0.000) 7.668 7.819 ( 0.014 7.668 0.000) 7.668 8.146 ( 3.506 -2.290 0.000) 4.188 8.146 ( 3.506 2.290 0.000) 4.188 9.410 ( -6.636 -0.040 0.000) 6.636 9.410 ( -6.636 0.040 0.000) 6.636 16.210 ( 1.472 -0.297 0.000) 1.502 16.210 ( 1.472 0.297 0.000) 1.502 17.466 ( -0.020 -0.084 0.000) 0.087 17.466 ( -0.020 0.084 0.000) 0.087 22.714 ( -0.353 -0.029 0.000) 0.354 22.714 ( -0.353 0.029 0.000) 0.354 26.402 ( -0.375 -0.144 0.000) 0.401 26.402 ( -0.375 0.144 0.000) 0.401 35.843 ( 6.031 -1.999 0.000) 6.353 35.843 ( 6.031 1.999 0.000) 6.353 36.599 ( -2.459 -0.502 0.000) 2.510 36.599 ( -2.459 0.502 0.000) 2.510======================= Grid point 81 (26/125) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.401 ( 0.000 0.000 20.278) 20.278 0.489 ( 0.000 0.000 24.406) 24.406 1.213 ( 0.000 0.000 58.862) 58.862 2.779 ( 0.000 0.000 -5.332) 5.332 2.946 ( 0.000 0.000 -5.597) 5.597 3.359 ( 0.000 0.000 -4.791) 4.791 3.492 ( 0.000 0.000 3.090) 3.090 3.508 ( 0.000 0.000 10.190) 10.190 3.884 ( 0.000 0.000 -8.553) 8.553 3.934 ( 0.000 0.000 -9.089) 9.089 4.506 ( 0.000 0.000 8.600) 8.600 4.943 ( 0.000 0.000 0.091) 0.091 5.256 ( 0.000 0.000 2.481) 2.481 5.345 ( 0.000 0.000 -6.828) 6.828 5.395 ( 0.000 0.000 12.685) 12.685 5.574 ( 0.000 0.000 3.974) 3.974 5.733 ( 0.000 0.000 -2.073) 2.073 6.324 ( 0.000 0.000 -1.403) 1.403 6.415 ( 0.000 0.000 0.449) 0.449 6.504 ( 0.000 0.000 7.060) 7.060 6.743 ( 0.000 0.000 0.777) 0.777 7.532 ( 0.000 0.000 -4.792) 4.792 7.610 ( 0.000 0.000 0.979) 0.979 7.714 ( 0.000 0.000 -0.431) 0.431 8.006 ( 0.000 0.000 -0.288) 0.288 8.009 ( 0.000 0.000 0.089) 0.089 8.134 ( 0.000 0.000 -0.172) 0.172 8.303 ( 0.000 0.000 1.323) 1.323 8.847 ( 0.000 0.000 -2.672) 2.672 10.398 ( 0.000 0.000 -9.940) 9.940 15.861 ( 0.000 0.000 0.121) 0.121 16.083 ( 0.000 0.000 -0.084) 0.084 17.460 ( 0.000 0.000 -2.826) 2.826 17.560 ( 0.000 0.000 -1.081) 1.081 22.653 ( 0.000 0.000 0.009) 0.009 22.717 ( 0.000 0.000 0.118) 0.118 26.515 ( 0.000 0.000 0.101) 0.101 26.535 ( 0.000 0.000 0.706) 0.706 34.270 ( 0.000 0.000 1.075) 1.075 35.155 ( 0.000 0.000 0.785) 0.785 37.007 ( 0.000 0.000 4.477) 4.477 39.344 ( 0.000 0.000 0.293) 0.293======================= Grid point 82 (27/125) =======================q-point: ( 0.11 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.481 ( 8.092 0.000 16.189) 18.099 1.260 ( 15.279 0.000 45.940) 48.414 1.578 ( 61.317 0.000 14.315) 62.965 2.752 ( -2.358 0.000 -4.991) 5.520 2.931 ( -1.566 0.000 -5.630) 5.844 3.287 ( -16.082 0.000 -0.364) 16.086 3.429 ( 2.240 0.000 0.136) 2.244 3.492 ( 1.124 0.000 7.084) 7.172 4.047 ( 8.232 0.000 -10.371) 13.241 4.067 ( 13.857 0.000 -4.566) 14.590 4.446 ( -4.949 0.000 7.615) 9.082 4.787 ( -13.940 0.000 17.293) 22.212 5.152 ( 2.738 0.000 1.612) 3.177 5.247 ( -0.795 0.000 1.503) 1.700 5.602 ( 15.631 0.000 1.913) 15.748 5.736 ( 0.118 0.000 -1.648) 1.652 5.748 ( 6.786 0.000 -3.002) 7.420 6.246 ( -5.596 0.000 -2.061) 5.963 6.433 ( 2.557 0.000 4.385) 5.076 6.631 ( 8.566 0.000 3.548) 9.272 6.756 ( 2.276 0.000 0.722) 2.388 7.538 ( 1.608 0.000 -6.632) 6.824 7.658 ( -0.398 0.000 -9.131) 9.139 7.721 ( 0.805 0.000 -0.370) 0.885 7.935 ( -5.823 0.000 -1.355) 5.978 7.990 ( -1.926 0.000 0.119) 1.929 8.273 ( 7.013 0.000 3.061) 7.652 8.280 ( -2.242 0.000 1.326) 2.605 8.909 ( 3.519 0.000 -4.338) 5.586 10.066 ( -20.272 0.000 2.628) 20.442 15.933 ( 4.851 0.000 -0.950) 4.943 16.147 ( 4.245 0.000 1.342) 4.452 17.435 ( -1.702 0.000 -2.927) 3.386 17.509 ( -2.296 0.000 -1.754) 2.889 22.654 ( 0.147 0.000 0.008) 0.148 22.714 ( -0.277 0.000 0.118) 0.301 26.502 ( -1.223 0.000 -0.207) 1.241 26.520 ( -1.351 0.000 1.003) 1.683 35.000 ( 32.898 0.000 -35.109) 48.114 35.353 ( 25.252 0.000 -12.831) 28.325 36.980 ( -2.506 0.000 4.981) 5.576 38.651 ( -44.371 0.000 40.310) 59.947======================= Grid point 83 (28/125) =======================q-point: ( 0.22 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( 15.521 0.000 9.416) 18.153 1.545 ( 16.654 0.000 44.796) 47.792 2.703 ( -2.205 0.000 -4.508) 5.018 2.810 ( 54.778 0.000 0.669) 54.782 2.864 ( -9.537 0.000 -5.431) 10.975 2.944 ( -13.676 0.000 -1.419) 13.749 3.367 ( -5.373 0.000 11.843) 13.005 3.593 ( 6.354 0.000 -0.717) 6.394 4.192 ( 6.011 0.000 -1.659) 6.236 4.357 ( 14.774 0.000 -2.252) 14.944 4.362 ( -1.549 0.000 6.279) 6.467 4.558 ( -9.311 0.000 16.427) 18.882 5.229 ( -1.150 0.000 -0.197) 1.167 5.248 ( 5.302 0.000 -5.720) 7.800 5.734 ( -0.245 0.000 -1.214) 1.239 5.848 ( 4.464 0.000 -2.331) 5.035 6.079 ( 30.520 0.000 0.857) 30.532 6.134 ( -5.645 0.000 -2.482) 6.166 6.505 ( 4.291 0.000 4.607) 6.296 6.712 ( 0.662 0.000 2.827) 2.904 6.920 ( 12.585 0.000 1.040) 12.628 7.505 ( -9.040 0.000 -8.785) 12.605 7.637 ( 0.742 0.000 -5.365) 5.416 7.749 ( 2.110 0.000 -0.187) 2.118 7.815 ( -4.244 0.000 -5.598) 7.025 7.930 ( -4.182 0.000 0.209) 4.187 8.216 ( -4.106 0.000 1.304) 4.308 8.339 ( 0.242 0.000 9.233) 9.236 8.927 ( -1.148 0.000 -0.896) 1.456 9.745 ( -13.343 0.000 -3.149) 13.710 16.037 ( 5.589 0.000 -0.112) 5.590 16.217 ( 2.907 0.000 3.968) 4.919 17.417 ( -0.149 0.000 -4.961) 4.963 17.476 ( -1.283 0.000 -2.949) 3.216 22.658 ( 0.283 0.000 0.008) 0.284 22.706 ( -0.476 0.000 0.112) 0.489 26.471 ( -1.779 0.000 -0.380) 1.819 26.487 ( -1.819 0.000 1.123) 2.137 35.380 ( 15.381 0.000 -13.398) 20.398 35.880 ( 19.033 0.000 -33.916) 38.892 36.927 ( -2.144 0.000 6.865) 7.192 37.953 ( -26.827 0.000 40.996) 48.994======================= Grid point 84 (29/125) =======================q-point: ( 0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 20.754 0.000 4.680) 21.275 1.919 ( 20.577 0.000 37.543) 42.812 2.472 ( -22.911 0.000 -1.889) 22.989 2.680 ( -0.069 0.000 -3.885) 3.886 2.837 ( -3.759 0.000 -4.413) 5.797 3.110 ( -13.495 0.000 19.680) 23.862 3.622 ( 14.661 0.000 -5.209) 15.559 3.748 ( 10.130 0.000 -0.799) 10.162 4.231 ( -0.586 0.000 5.169) 5.202 4.392 ( -5.888 0.000 11.976) 13.345 4.612 ( 27.065 0.000 4.170) 27.385 4.640 ( 13.552 0.000 -1.311) 13.616 5.187 ( -3.543 0.000 -1.079) 3.703 5.347 ( 4.243 0.000 -6.410) 7.687 5.741 ( 1.424 0.000 -1.636) 2.169 5.949 ( 6.737 0.000 -1.593) 6.923 6.020 ( -5.895 0.000 -2.957) 6.596 6.590 ( 3.987 0.000 4.303) 5.866 6.705 ( 29.785 0.000 -2.764) 29.913 6.712 ( -0.411 0.000 3.304) 3.330 7.184 ( 13.460 0.000 0.870) 13.489 7.195 ( -20.955 0.000 -3.464) 21.239 7.597 ( -5.013 0.000 -9.992) 11.179 7.802 ( 0.906 0.000 0.013) 0.906 7.827 ( -3.933 0.000 0.454) 3.959 7.847 ( 6.524 0.000 -3.812) 7.556 8.122 ( -5.323 0.000 1.192) 5.455 8.299 ( -4.054 0.000 11.307) 12.012 8.911 ( 0.701 0.000 -0.522) 0.874 9.486 ( -13.512 0.000 -5.487) 14.583 16.147 ( 5.225 0.000 0.614) 5.261 16.262 ( 1.534 0.000 3.729) 4.033 17.421 ( 0.371 0.000 -5.045) 5.059 17.455 ( -0.892 0.000 -3.343) 3.460 22.665 ( 0.401 0.000 0.017) 0.401 22.696 ( -0.565 0.000 0.096) 0.573 26.438 ( -1.379 0.000 -0.075) 1.381 26.452 ( -1.624 0.000 0.900) 1.857 35.680 ( 14.359 0.000 -13.082) 19.424 36.095 ( 3.908 0.000 -26.244) 26.533 36.922 ( 2.235 0.000 10.770) 10.999 37.524 ( -17.568 0.000 31.238) 35.839======================= Grid point 85 (30/125) =======================q-point: ( 0.44 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 23.533 0.000 1.760) 23.599 2.001 ( -24.190 0.000 -0.232) 24.191 2.344 ( 21.891 0.000 31.412) 38.287 2.703 ( 2.257 0.000 -4.043) 4.630 2.763 ( -3.556 0.000 -4.278) 5.563 2.766 ( -20.028 0.000 25.916) 32.753 3.770 ( 4.837 0.000 -2.436) 5.416 3.835 ( -0.984 0.000 -1.663) 1.932 4.238 ( 1.513 0.000 6.756) 6.923 4.292 ( -3.904 0.000 9.110) 9.911 4.887 ( 11.163 0.000 -1.034) 11.211 5.076 ( -7.685 0.000 -1.092) 7.762 5.176 ( 21.339 0.000 -2.330) 21.465 5.383 ( -2.029 0.000 -5.371) 5.741 5.799 ( 4.331 0.000 -2.542) 5.022 5.903 ( -5.804 0.000 -3.046) 6.555 6.188 ( 19.539 0.000 0.191) 19.540 6.656 ( 2.656 0.000 4.033) 4.829 6.690 ( -27.486 0.000 0.164) 27.486 6.695 ( -1.341 0.000 3.770) 4.001 7.202 ( 18.214 0.000 -8.158) 19.958 7.439 ( 12.065 0.000 0.644) 12.082 7.461 ( -9.058 0.000 -10.750) 14.058 7.656 ( -9.623 0.000 0.447) 9.633 7.901 ( 5.195 0.000 0.579) 5.228 8.011 ( -5.733 0.000 0.943) 5.810 8.014 ( 9.428 0.000 2.290) 9.702 8.186 ( -7.300 0.000 8.605) 11.284 8.990 ( 7.778 0.000 -2.102) 8.057 9.211 ( -13.532 0.000 -4.259) 14.186 16.233 ( 3.281 0.000 1.457) 3.590 16.272 ( -0.659 0.000 2.555) 2.639 17.430 ( 0.476 0.000 -4.342) 4.368 17.440 ( -0.607 0.000 -3.749) 3.797 22.674 ( 0.496 0.000 0.039) 0.498 22.685 ( -0.560 0.000 0.068) 0.564 26.421 ( -0.305 0.000 0.297) 0.426 26.426 ( -0.847 0.000 0.614) 1.046 35.928 ( 10.305 0.000 -16.042) 19.067 36.079 ( -4.694 0.000 -20.104) 20.645 37.024 ( 7.907 0.000 16.450) 18.251 37.228 ( -12.558 0.000 23.084) 26.279======================= Grid point 90 (31/125) =======================q-point: ( 0.00 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( 0.000 7.729 20.780) 22.171 0.826 ( 0.000 21.234 18.491) 28.157 1.524 ( 0.000 31.064 39.457) 50.218 2.821 ( 0.000 3.548 -5.936) 6.915 2.902 ( 0.000 -25.692 0.790) 25.704 3.287 ( 0.000 17.242 -19.862) 26.301 3.508 ( 0.000 1.885 5.902) 6.196 3.838 ( 0.000 14.396 -2.342) 14.585 3.916 ( 0.000 -1.310 -8.492) 8.593 3.958 ( 0.000 4.346 -9.136) 10.117 4.380 ( 0.000 -5.265 15.130) 16.020 4.983 ( 0.000 -23.794 22.504) 32.750 5.013 ( 0.000 6.991 -0.111) 6.991 5.300 ( 0.000 -3.653 -5.452) 6.563 5.449 ( 0.000 12.504 5.345) 13.598 5.466 ( 0.000 -7.405 2.430) 7.793 5.830 ( 0.000 6.664 -1.659) 6.867 6.414 ( 0.000 5.405 -3.423) 6.397 6.531 ( 0.000 10.006 0.338) 10.012 6.590 ( 0.000 3.995 3.757) 5.484 6.779 ( 0.000 2.863 -0.107) 2.865 7.518 ( 0.000 -0.107 -4.300) 4.301 7.585 ( 0.000 -2.225 0.876) 2.391 7.693 ( 0.000 -2.055 -0.403) 2.094 7.770 ( 0.000 -21.474 -1.101) 21.502 7.970 ( 0.000 -14.261 -0.194) 14.262 7.972 ( 0.000 -3.252 -0.265) 3.263 8.288 ( 0.000 2.709 5.397) 6.038 9.237 ( 0.000 23.216 -5.445) 23.846 10.450 ( 0.000 2.241 -16.529) 16.680 15.869 ( 0.000 0.782 0.115) 0.791 16.074 ( 0.000 -0.840 -0.072) 0.843 17.459 ( 0.000 -0.046 -2.694) 2.695 17.523 ( 0.000 -1.925 -0.651) 2.033 22.718 ( 0.000 1.027 -0.853) 1.335 22.752 ( 0.000 4.416 -4.670) 6.427 26.509 ( 0.000 -0.458 0.414) 0.618 26.526 ( 0.000 -0.411 0.074) 0.418 34.300 ( 0.000 2.831 1.066) 3.025 35.117 ( 0.000 -3.588 0.801) 3.676 36.988 ( 0.000 -1.485 4.802) 5.027 38.205 ( 0.000 -56.183 60.286) 82.407======================= Grid point 91 (32/125) =======================q-point: ( 0.11 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.865 ( 7.919 21.579 13.113) 26.464 1.370 ( 30.676 7.524 25.623) 40.671 1.750 ( 37.901 20.846 21.605) 48.351 2.754 ( -3.397 -2.820 -4.108) 6.031 2.992 ( 3.423 -12.065 -1.382) 12.617 3.174 ( -7.954 13.781 -9.828) 18.702 3.466 ( -3.139 -0.358 8.375) 8.951 3.682 ( -7.681 12.650 -5.963) 15.955 4.016 ( 8.303 -1.291 -9.296) 12.531 4.141 ( 9.557 0.934 -2.257) 9.865 4.351 ( -1.921 -2.305 12.767) 13.114 4.687 ( -13.627 -9.028 18.214) 24.473 5.182 ( 6.256 4.170 -1.191) 7.612 5.355 ( -2.884 3.269 -1.748) 4.697 5.488 ( 15.783 -7.066 1.174) 17.333 5.631 ( 9.718 -1.688 2.783) 10.249 5.832 ( -0.375 5.191 -1.675) 5.468 6.328 ( -5.515 6.483 -2.018) 8.748 6.531 ( 0.206 5.968 2.653) 6.534 6.703 ( 7.381 5.988 2.735) 9.890 6.806 ( 4.413 4.654 -0.141) 6.415 7.517 ( -0.894 -2.558 -6.691) 7.219 7.586 ( -1.979 -8.089 -5.663) 10.070 7.696 ( 1.359 -2.317 -0.540) 2.740 7.803 ( -0.534 -13.654 -1.008) 13.702 7.971 ( 2.811 -2.750 -0.643) 3.985 8.006 ( 0.942 -11.861 1.363) 11.977 8.305 ( 1.494 0.212 6.742) 6.909 9.222 ( -1.806 20.551 -4.200) 21.053 10.158 ( -21.462 6.204 -7.087) 23.438 15.930 ( 4.766 -0.077 -0.257) 4.774 16.123 ( 3.892 -1.788 1.329) 4.485 17.437 ( -1.580 0.202 -2.934) 3.339 17.499 ( -1.505 -0.719 -2.038) 2.634 22.706 ( -1.503 2.755 -1.760) 3.598 22.725 ( -1.038 1.641 -0.327) 1.969 26.493 ( -1.267 -0.752 0.522) 1.563 26.511 ( -1.387 -0.417 0.247) 1.469 34.908 ( 36.413 -7.481 -27.264) 46.099 35.274 ( 18.996 -6.192 -3.421) 20.270 36.959 ( -2.714 -1.664 5.196) 6.094 38.011 ( -16.227 -39.396 54.134) 68.890======================= Grid point 92 (33/125) =======================q-point: ( 0.22 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 12.904 23.102 6.316) 27.205 1.690 ( 13.986 15.030 37.921) 43.123 2.704 ( 0.845 -0.612 -3.814) 3.954 2.778 ( 39.621 1.077 0.699) 39.642 2.925 ( -10.656 2.396 -2.248) 11.151 3.070 ( 4.232 9.910 -3.864) 11.448 3.376 ( -6.068 0.395 10.417) 12.062 3.634 ( 2.843 5.007 -3.613) 6.797 4.158 ( 1.514 -4.351 3.502) 5.787 4.245 ( 6.182 -6.370 4.968) 10.172 4.419 ( 7.957 3.771 1.797) 8.987 4.481 ( -6.084 -5.634 13.347) 15.713 5.282 ( 2.455 3.044 -4.548) 5.998 5.293 ( -0.750 3.178 -1.864) 3.760 5.781 ( 1.069 4.006 -1.042) 4.275 5.822 ( 6.219 -0.511 -1.312) 6.376 5.946 ( 22.962 -7.615 -0.560) 24.199 6.239 ( -1.527 6.153 -1.026) 6.422 6.558 ( 2.290 3.560 4.024) 5.841 6.782 ( 3.020 6.010 1.810) 6.966 7.005 ( 12.937 7.666 0.482) 15.046 7.394 ( -10.991 -11.924 -6.400) 17.434 7.588 ( 1.947 -4.559 -3.174) 5.886 7.689 ( -3.424 -4.636 -2.754) 6.387 7.806 ( 3.240 -1.600 -6.235) 7.206 7.992 ( -1.443 2.497 -0.042) 2.884 8.005 ( -1.185 -10.968 2.322) 11.274 8.324 ( -0.195 -2.106 9.766) 9.993 9.156 ( -4.647 16.438 -1.828) 17.180 9.777 ( -16.450 2.943 -5.628) 17.634 16.035 ( 5.654 -0.115 0.112) 5.656 16.198 ( 3.334 -1.679 3.293) 4.978 17.418 ( -0.296 0.085 -4.533) 4.543 17.473 ( -1.171 -0.317 -2.936) 3.177 22.682 ( -0.687 1.899 -0.457) 2.070 22.712 ( -0.572 0.538 0.121) 0.795 26.465 ( -1.545 -0.735 0.184) 1.721 26.477 ( -1.868 -0.526 0.629) 2.040 35.348 ( 16.245 -2.937 -12.962) 20.989 35.782 ( 21.899 -9.096 -26.671) 35.688 36.899 ( -2.708 -2.370 6.770) 7.668 37.674 ( -16.452 -21.105 41.766) 49.603======================= Grid point 93 (34/125) =======================q-point: ( 0.33 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 17.378 21.670 2.233) 27.867 2.003 ( 17.005 9.533 33.843) 39.056 2.616 ( -18.000 11.622 -0.812) 21.442 2.708 ( 1.287 2.817 -3.850) 4.941 2.891 ( -4.256 6.088 -2.208) 7.749 3.162 ( -12.607 4.188 16.201) 20.952 3.617 ( 17.080 -0.573 -5.068) 17.825 3.744 ( 7.698 0.191 -1.167) 7.789 4.126 ( -1.316 -9.134 8.330) 12.432 4.301 ( -5.609 -7.666 10.839) 14.412 4.601 ( 24.934 -0.663 4.118) 25.280 4.656 ( 12.328 1.339 -0.495) 12.410 5.238 ( -1.889 3.713 -1.088) 4.305 5.378 ( 4.288 2.838 -5.497) 7.527 5.749 ( -1.500 0.756 -1.533) 2.274 5.982 ( 8.571 3.508 -1.824) 9.439 6.059 ( -4.754 2.659 -3.857) 6.674 6.494 ( 15.139 -9.847 1.029) 18.089 6.609 ( 2.584 0.724 4.202) 4.985 6.907 ( 11.227 9.891 -0.243) 14.964 7.074 ( -16.147 -9.447 -3.672) 19.065 7.299 ( 11.590 7.523 0.406) 13.824 7.579 ( -5.124 -1.854 -9.236) 10.724 7.669 ( 4.432 -8.149 0.834) 9.313 7.881 ( -0.007 2.014 -2.128) 2.930 7.933 ( -1.342 5.845 -1.069) 6.092 7.975 ( -0.828 -9.921 1.149) 10.022 8.290 ( -3.193 -1.330 10.488) 11.043 9.064 ( -3.538 11.878 -1.397) 12.472 9.481 ( -14.066 -0.110 -5.840) 15.231 16.145 ( 5.178 -0.148 0.660) 5.222 16.250 ( 1.859 -1.075 3.254) 3.899 17.420 ( 0.340 -0.084 -4.775) 4.788 17.452 ( -0.845 -0.204 -3.293) 3.406 22.676 ( 0.023 0.967 -0.076) 0.970 22.700 ( -0.593 0.410 0.098) 0.728 26.435 ( -1.290 -0.336 0.018) 1.333 26.443 ( -1.473 -0.609 0.827) 1.796 35.657 ( 14.646 -2.041 -11.927) 18.998 36.049 ( 5.851 -4.586 -23.514) 24.661 36.880 ( 1.372 -3.788 10.250) 11.013 37.376 ( -13.526 -12.365 30.762) 35.807======================= Grid point 94 (35/125) =======================q-point: ( 0.44 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 20.083 17.838 0.563) 26.868 2.134 ( -15.281 10.381 4.183) 18.941 2.463 ( 13.860 12.168 24.623) 30.765 2.754 ( 1.842 5.576 -1.966) 6.193 2.777 ( -8.660 4.893 9.555) 13.793 2.879 ( -12.055 6.946 9.090) 16.619 3.779 ( 4.478 0.767 -2.396) 5.137 3.831 ( -0.103 -0.266 -1.431) 1.459 4.133 ( 1.997 -9.175 7.714) 12.152 4.198 ( -4.363 -8.316 9.018) 13.020 4.873 ( 9.603 -1.208 -0.636) 9.700 4.984 ( 2.465 -5.313 -0.093) 5.857 5.310 ( 11.512 8.705 -2.275) 14.611 5.431 ( -0.032 4.416 -4.492) 6.300 5.769 ( 4.763 -2.923 -1.652) 5.828 5.919 ( -8.077 0.687 -3.192) 8.712 6.221 ( 16.059 3.226 -1.211) 16.425 6.606 ( -10.542 -6.502 2.440) 12.624 6.648 ( 0.824 -1.699 4.012) 4.434 6.670 ( -10.432 -2.901 -0.244) 10.831 7.218 ( 14.125 2.812 -7.546) 16.259 7.427 ( -6.605 -0.809 -9.591) 11.673 7.557 ( 9.739 7.020 -0.067) 12.005 7.752 ( -8.417 5.435 0.290) 10.023 7.790 ( 5.955 -5.126 4.249) 8.932 7.896 ( -3.986 -6.525 3.659) 8.476 8.065 ( 7.338 0.407 -1.604) 7.522 8.201 ( -5.780 0.242 5.881) 8.249 9.058 ( 3.747 5.853 -2.321) 7.327 9.219 ( -11.698 0.959 -4.153) 12.450 16.230 ( 3.160 -0.318 1.381) 3.463 16.266 ( -0.456 -0.616 2.320) 2.443 17.428 ( 0.474 -0.115 -4.235) 4.263 17.439 ( -0.582 -0.142 -3.689) 3.737 22.680 ( 0.353 0.558 0.028) 0.661 22.689 ( -0.523 0.410 0.072) 0.669 26.418 ( -0.371 -0.242 0.286) 0.527 26.421 ( -0.678 -0.409 0.602) 0.994 35.909 ( 10.357 -1.748 -14.534) 17.932 36.056 ( -4.133 -2.219 -18.348) 18.938 36.962 ( 6.760 -5.575 15.613) 17.904 37.137 ( -10.583 -8.064 22.329) 25.992======================= Grid point 99 (36/125) =======================q-point: ( 0.00 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.785 ( 0.000 12.167 15.316) 19.560 1.218 ( 0.000 19.578 17.500) 26.260 2.284 ( 0.000 35.341 18.002) 39.662 2.369 ( 0.000 -25.192 3.463) 25.429 2.892 ( 0.000 1.827 -8.371) 8.568 3.319 ( 0.000 -8.019 -1.905) 8.242 3.761 ( 0.000 16.875 -4.904) 17.573 3.878 ( 0.000 -1.247 -7.724) 7.824 3.964 ( 0.000 0.662 -0.307) 0.730 4.022 ( 0.000 2.963 -3.448) 4.546 4.487 ( 0.000 11.958 9.608) 15.340 4.578 ( 0.000 -13.832 18.752) 23.302 5.183 ( 0.000 1.139 -1.617) 1.978 5.271 ( 0.000 7.554 -2.991) 8.125 5.326 ( 0.000 -3.915 1.854) 4.332 5.645 ( 0.000 4.771 6.340) 7.935 5.958 ( 0.000 4.755 -2.362) 5.309 6.533 ( 0.000 5.818 -1.630) 6.042 6.646 ( 0.000 2.123 3.860) 4.405 6.780 ( 0.000 13.122 0.158) 13.123 6.788 ( 0.000 -9.236 -2.376) 9.537 7.224 ( 0.000 -19.206 0.214) 19.208 7.533 ( 0.000 -2.306 0.714) 2.414 7.547 ( 0.000 2.901 -1.653) 3.339 7.625 ( 0.000 -4.525 -0.412) 4.544 7.786 ( 0.000 -7.593 -3.708) 8.450 7.876 ( 0.000 -5.856 -0.197) 5.859 8.234 ( 0.000 -6.635 11.919) 13.642 9.666 ( 0.000 18.056 -5.308) 18.820 10.450 ( 0.000 -2.059 -15.749) 15.883 15.892 ( 0.000 1.450 0.098) 1.454 16.049 ( 0.000 -1.531 -0.040) 1.532 17.460 ( 0.000 0.136 -2.681) 2.685 17.496 ( 0.000 -0.849 -1.984) 2.158 22.738 ( 0.000 1.091 -0.355) 1.148 22.806 ( 0.000 0.992 -3.766) 3.895 26.503 ( 0.000 -0.081 -0.043) 0.092 26.519 ( 0.000 -0.309 -0.185) 0.360 34.386 ( 0.000 5.386 1.038) 5.485 35.011 ( 0.000 -6.455 0.842) 6.510 36.966 ( 0.000 -0.231 5.657) 5.662 37.489 ( 0.000 -19.334 40.104) 44.521======================= Grid point 100 (37/125) =======================q-point: ( 0.11 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 11.525 17.648 12.339) 24.424 1.501 ( 41.272 6.661 12.618) 43.669 2.362 ( 10.489 28.127 14.469) 33.325 2.489 ( 10.266 -15.413 3.778) 18.900 2.914 ( 2.107 0.084 -7.438) 7.731 3.278 ( -3.569 -5.983 -2.663) 7.458 3.604 ( -9.746 14.295 1.604) 17.376 3.871 ( -5.080 4.066 -3.855) 7.563 4.025 ( 8.498 4.076 -8.518) 12.704 4.077 ( 1.801 -1.559 6.500) 6.923 4.459 ( -7.384 -9.817 13.594) 18.322 4.496 ( 0.037 11.289 10.198) 15.213 5.272 ( 3.464 -2.785 -3.818) 5.859 5.313 ( 1.424 -1.357 -2.000) 2.805 5.421 ( 14.483 5.018 1.277) 15.381 5.694 ( 5.145 2.614 5.267) 7.813 5.942 ( -1.714 4.695 -1.945) 5.364 6.473 ( -5.095 6.731 -1.801) 8.632 6.623 ( -0.620 3.073 2.627) 4.090 6.785 ( 2.081 -6.231 -0.040) 6.570 6.946 ( 11.473 7.751 -0.164) 13.847 7.173 ( -4.482 -14.970 -1.451) 15.693 7.517 ( -1.873 -0.678 -1.694) 2.615 7.604 ( 3.842 -5.751 -5.454) 8.808 7.647 ( 2.105 -1.845 -0.332) 2.818 7.853 ( 1.016 -5.980 0.863) 6.126 7.886 ( 5.948 -5.600 -0.632) 8.194 8.237 ( 0.271 -6.502 11.547) 13.255 9.618 ( -4.711 17.003 -4.731) 18.267 10.246 ( -17.967 1.743 -12.512) 21.963 15.937 ( 4.090 0.865 0.182) 4.184 16.084 ( 3.173 -1.931 0.757) 3.791 17.443 ( -1.325 0.368 -2.902) 3.212 17.485 ( -0.936 -0.598 -2.512) 2.746 22.733 ( -0.486 1.035 -0.384) 1.206 22.773 ( -2.609 1.599 -2.169) 3.751 26.482 ( -1.735 -0.231 0.426) 1.801 26.504 ( -1.408 -0.328 -0.110) 1.449 34.775 ( 30.877 -3.863 -10.874) 32.963 35.134 ( 13.000 -7.066 1.112) 14.838 36.932 ( -3.244 -0.490 5.776) 6.643 37.430 ( -5.620 -17.783 37.559) 41.935======================= Grid point 101 (38/125) =======================q-point: ( 0.22 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 13.207 17.541 9.104) 23.769 2.079 ( 14.860 16.720 19.360) 29.583 2.649 ( 8.190 -4.851 -1.248) 9.600 2.894 ( 31.876 9.654 2.763) 33.420 2.954 ( 2.224 -0.071 -3.985) 4.564 3.217 ( -0.233 -0.657 -1.816) 1.945 3.434 ( -7.457 9.991 6.815) 14.207 3.780 ( -2.954 6.569 -4.517) 8.502 4.033 ( -4.589 -2.543 13.841) 14.802 4.209 ( 4.549 -0.586 2.276) 5.120 4.331 ( 0.315 -4.133 9.323) 10.203 4.560 ( 5.698 8.525 3.036) 10.694 5.295 ( -1.142 -1.625 -1.041) 2.242 5.356 ( 4.483 2.632 -3.877) 6.485 5.797 ( 18.554 -3.802 -2.334) 19.082 5.842 ( 9.306 0.046 1.447) 9.418 5.892 ( -2.343 4.032 -0.688) 4.714 6.368 ( -4.729 5.306 -1.205) 7.209 6.620 ( -0.075 2.589 2.114) 3.344 6.852 ( 3.953 -11.137 -0.092) 11.818 7.062 ( -4.255 -5.145 -1.914) 6.945 7.207 ( 12.894 10.202 -0.541) 16.451 7.490 ( -0.487 -3.744 -1.023) 3.911 7.601 ( -2.501 -3.859 -5.556) 7.212 7.737 ( 5.029 -4.448 -5.351) 8.585 7.839 ( -0.335 -4.235 2.429) 4.893 8.031 ( 5.413 -0.993 0.546) 5.531 8.241 ( -0.008 -6.104 10.798) 12.404 9.487 ( -8.196 14.409 -3.515) 16.946 9.852 ( -19.816 3.633 -8.913) 22.030 16.036 ( 5.508 0.361 0.383) 5.533 16.157 ( 3.795 -2.043 1.975) 4.741 17.422 ( -0.583 0.349 -3.793) 3.853 17.465 ( -1.010 -0.421 -2.961) 3.157 22.718 ( -1.089 1.278 -0.660) 1.804 22.730 ( -1.378 1.164 -0.164) 1.811 26.448 ( -1.535 -0.580 0.684) 1.778 26.470 ( -1.903 -0.335 0.056) 1.934 35.271 ( 18.594 -4.032 -10.814) 21.884 35.547 ( 24.120 -11.906 -10.170) 28.756 36.852 ( -4.203 -1.502 6.527) 7.908 37.284 ( -8.615 -14.712 31.692) 35.987======================= Grid point 102 (39/125) =======================q-point: ( 0.33 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 15.960 16.040 4.407) 23.053 2.298 ( 8.833 14.752 20.543) 26.789 2.748 ( 1.697 2.891 -1.870) 3.839 2.907 ( -2.741 13.143 -0.912) 13.457 3.098 ( -2.460 9.703 -2.555) 10.331 3.263 ( -9.017 8.447 11.954) 17.192 3.582 ( 19.013 -3.661 -1.770) 19.443 3.777 ( 2.429 2.456 -1.898) 3.942 3.939 ( -3.703 -5.580 12.899) 14.534 4.119 ( -6.882 -8.814 10.015) 15.012 4.599 ( 19.549 0.988 4.232) 20.026 4.704 ( 8.218 3.636 0.403) 8.995 5.292 ( 2.137 0.862 -0.084) 2.306 5.457 ( 5.338 4.652 -3.759) 8.017 5.799 ( -4.560 4.505 -1.386) 6.558 6.022 ( -0.806 -7.829 -3.262) 8.519 6.056 ( 11.074 0.291 -2.016) 11.260 6.365 ( 6.247 -1.275 1.304) 6.508 6.610 ( -1.095 -0.165 1.612) 1.955 6.805 ( -8.834 -14.425 -3.597) 17.293 7.131 ( 10.458 11.231 -0.982) 15.378 7.432 ( 8.143 1.434 -1.167) 8.350 7.508 ( -0.289 -3.283 0.560) 3.343 7.545 ( 1.349 -2.193 -5.480) 6.055 7.817 ( 2.101 -2.580 3.052) 4.515 7.867 ( 4.399 -2.754 -4.386) 6.795 8.072 ( -1.220 5.095 0.327) 5.249 8.228 ( -1.526 -4.950 8.854) 10.258 9.313 ( -8.488 10.984 -3.140) 14.232 9.499 ( -15.349 2.038 -6.571) 16.821 16.143 ( 4.953 0.043 0.705) 5.003 16.222 ( 2.518 -1.514 2.221) 3.683 17.419 ( 0.184 0.083 -4.177) 4.181 17.447 ( -0.739 -0.298 -3.249) 3.346 22.699 ( -0.591 1.137 -0.215) 1.300 22.712 ( -0.701 0.616 0.090) 0.938 26.423 ( -0.963 -0.596 0.571) 1.269 26.435 ( -1.474 -0.293 0.236) 1.521 35.605 ( 15.308 -2.642 -8.704) 17.807 35.906 ( 10.912 -8.773 -14.534) 20.181 36.792 ( -1.194 -3.841 8.856) 9.727 37.107 ( -8.904 -11.924 25.000) 29.094======================= Grid point 103 (40/125) =======================q-point: ( 0.44 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 15.693 13.272 2.115) 20.661 2.344 ( -7.185 8.598 7.457) 13.459 2.784 ( 6.709 12.839 11.576) 18.544 2.910 ( 0.064 10.302 2.153) 10.525 3.039 ( -3.022 15.432 -1.702) 15.817 3.060 ( -9.068 16.736 12.810) 22.944 3.778 ( 4.283 -2.877 0.433) 5.178 3.825 ( 0.016 -0.817 -0.274) 0.862 3.920 ( 2.226 -8.716 8.841) 12.613 3.997 ( -5.130 -8.958 9.007) 13.700 4.849 ( 6.113 -0.700 -0.008) 6.153 4.886 ( 4.707 -3.715 1.195) 6.114 5.454 ( 13.523 2.419 0.004) 13.738 5.553 ( 3.478 6.745 -2.490) 7.987 5.719 ( -2.156 0.748 -1.482) 2.721 5.857 ( -12.443 -8.514 -1.092) 15.116 6.298 ( 12.764 2.709 -4.040) 13.660 6.493 ( 2.622 -2.699 1.608) 4.092 6.553 ( -5.401 -5.868 -3.117) 8.563 6.611 ( -7.013 -2.770 0.593) 7.564 7.305 ( 5.898 3.779 -4.904) 8.550 7.406 ( -4.980 -1.821 -5.318) 7.510 7.625 ( 7.745 -2.392 0.801) 8.145 7.642 ( 4.036 -3.257 0.985) 5.279 7.836 ( 2.444 3.135 5.133) 6.492 7.962 ( -5.057 7.941 2.929) 9.859 8.033 ( 6.199 -1.860 -2.755) 7.034 8.170 ( -4.895 -3.133 2.014) 6.151 9.196 ( -2.085 6.595 -3.502) 7.752 9.259 ( -8.259 2.928 -4.133) 9.689 16.222 ( 2.799 -0.351 1.180) 3.057 16.249 ( 0.062 -0.876 1.765) 1.972 17.426 ( 0.416 -0.075 -3.967) 3.989 17.435 ( -0.506 -0.181 -3.586) 3.626 22.695 ( 0.056 0.758 0.015) 0.760 22.700 ( -0.447 0.582 0.080) 0.738 26.411 ( -0.253 -0.401 0.439) 0.646 26.414 ( -0.617 -0.285 0.361) 0.769 35.862 ( 10.133 -2.553 -10.216) 14.613 35.987 ( -1.904 -4.293 -12.726) 13.565 36.822 ( 4.171 -6.985 13.041) 15.370 36.942 ( -7.492 -9.535 18.594) 22.199======================= Grid point 108 (41/125) =======================q-point: ( 0.00 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 0.000 15.558 11.399) 19.287 1.674 ( 0.000 24.083 8.079) 25.402 1.869 ( 0.000 -22.693 6.031) 23.481 2.635 ( 0.000 -12.238 -5.584) 13.452 2.959 ( 0.000 12.714 5.838) 13.991 3.191 ( 0.000 -2.013 3.820) 4.318 3.875 ( 0.000 1.126 -6.371) 6.470 3.941 ( 0.000 4.997 14.036) 14.899 4.006 ( 0.000 -3.325 -4.182) 5.343 4.243 ( 0.000 0.594 5.960) 5.990 4.376 ( 0.000 17.923 -3.468) 18.255 4.825 ( 0.000 15.054 7.084) 16.638 5.150 ( 0.000 -1.054 -1.082) 1.511 5.214 ( 0.000 -3.867 -0.120) 3.869 5.586 ( 0.000 15.407 -1.772) 15.508 5.634 ( 0.000 -4.767 8.323) 9.591 5.993 ( 0.000 -2.022 -2.712) 3.383 6.211 ( 0.000 -35.719 0.874) 35.730 6.641 ( 0.000 4.253 -0.498) 4.282 6.692 ( 0.000 1.732 2.342) 2.913 7.051 ( 0.000 12.611 0.002) 12.611 7.208 ( 0.000 8.373 -3.972) 9.268 7.473 ( 0.000 -6.121 0.120) 6.123 7.542 ( 0.000 -0.298 -0.015) 0.299 7.611 ( 0.000 -8.258 -5.343) 9.835 7.651 ( 0.000 6.077 4.298) 7.443 7.739 ( 0.000 -6.951 -0.088) 6.952 8.051 ( 0.000 -10.305 12.170) 15.946 9.990 ( 0.000 13.269 -6.897) 14.955 10.372 ( 0.000 -5.487 -12.589) 13.733 15.928 ( 0.000 1.909 0.073) 1.910 16.012 ( 0.000 -1.966 0.001) 1.966 17.464 ( 0.000 0.310 -2.695) 2.712 17.482 ( 0.000 -0.551 -2.513) 2.572 22.763 ( 0.000 1.290 -0.573) 1.412 22.808 ( 0.000 -0.547 -2.044) 2.116 26.504 ( 0.000 0.128 -0.178) 0.220 26.513 ( 0.000 -0.288 -0.145) 0.322 34.519 ( 0.000 7.345 0.999) 7.412 34.857 ( 0.000 -8.100 0.896) 8.149 36.989 ( 0.000 2.522 7.735) 8.136 37.216 ( 0.000 -9.082 22.346) 24.121======================= Grid point 109 (42/125) =======================q-point: ( 0.11 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 32.675 10.958 6.039) 34.989 1.758 ( 12.931 19.891 9.187) 25.441 2.107 ( 20.568 -16.539 4.593) 26.789 2.661 ( 3.378 -12.839 -4.360) 13.974 2.965 ( 1.365 11.437 4.768) 12.466 3.171 ( -1.511 -1.813 3.243) 4.011 3.860 ( -4.958 8.775 7.123) 12.341 3.911 ( 0.502 1.846 -0.322) 1.940 4.048 ( 2.305 -2.351 0.977) 3.434 4.210 ( -3.626 -5.309 8.991) 11.053 4.375 ( 1.559 22.458 -4.355) 22.930 4.806 ( -1.446 14.890 6.271) 16.222 5.208 ( 4.839 -1.735 -2.036) 5.529 5.246 ( 3.382 -2.841 0.223) 4.422 5.628 ( 3.855 8.898 -1.057) 9.754 5.648 ( 2.017 -6.171 6.318) 9.059 5.996 ( -0.113 -0.170 -2.054) 2.064 6.219 ( 0.667 -31.762 0.722) 31.777 6.619 ( -1.530 4.991 -1.170) 5.350 6.693 ( 0.150 2.056 1.059) 2.318 7.108 ( 3.764 8.559 -1.236) 9.431 7.254 ( 5.358 10.423 -3.485) 12.226 7.464 ( -0.131 -5.607 -2.757) 6.250 7.523 ( -1.062 -0.562 -1.714) 2.094 7.655 ( -0.279 1.334 1.070) 1.732 7.724 ( 7.498 -6.682 0.592) 10.061 7.763 ( 4.595 -3.874 1.487) 6.191 8.059 ( 0.749 -9.988 11.659) 15.370 9.921 ( -6.786 12.137 -6.491) 15.346 10.232 ( -13.175 -2.992 -11.435) 17.700 15.964 ( 3.426 1.603 0.205) 3.788 16.043 ( 2.904 -2.018 0.358) 3.554 17.452 ( -1.064 0.473 -2.834) 3.064 17.473 ( -0.809 -0.533 -2.713) 2.881 22.756 ( -0.698 1.117 -0.496) 1.407 22.787 ( -1.824 -0.034 -1.485) 2.352 26.482 ( -1.851 0.231 0.131) 1.870 26.497 ( -1.486 -0.371 -0.068) 1.533 34.760 ( 21.446 2.142 -2.858) 21.741 34.985 ( 12.459 -7.186 1.049) 14.421 36.950 ( -3.770 2.320 7.545) 8.748 37.171 ( -4.425 -8.870 21.449) 23.629======================= Grid point 110 (43/125) =======================q-point: ( 0.22 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 10.539 19.012 5.052) 22.317 2.290 ( 19.540 4.533 8.863) 21.930 2.531 ( 19.981 -5.139 1.067) 20.659 2.828 ( 13.273 -13.091 -3.459) 18.961 3.075 ( 12.023 5.720 2.959) 13.639 3.155 ( 0.950 -0.923 2.674) 2.984 3.731 ( -6.980 12.831 11.364) 18.506 3.895 ( -2.487 6.346 -0.668) 6.849 4.039 ( -4.223 -1.417 5.468) 7.053 4.112 ( -5.297 -4.847 9.634) 12.015 4.479 ( 8.514 17.794 -0.846) 19.744 4.790 ( 0.196 12.100 3.650) 12.640 5.260 ( 0.934 -0.946 0.579) 1.450 5.388 ( 9.430 1.313 -2.103) 9.751 5.713 ( 3.418 -7.562 -0.292) 8.304 5.744 ( 8.392 -9.418 2.204) 12.805 5.977 ( -1.882 3.316 -0.942) 3.928 6.236 ( 1.377 -18.860 1.122) 18.943 6.612 ( 0.889 2.408 -3.406) 4.265 6.682 ( -1.550 2.141 -1.262) 2.929 7.189 ( 5.706 8.410 -2.796) 10.540 7.368 ( 3.068 2.463 -2.978) 4.935 7.465 ( 0.777 1.732 1.380) 2.346 7.521 ( -0.651 -3.824 -6.123) 7.248 7.678 ( 5.588 0.879 -1.881) 5.961 7.798 ( 2.718 0.640 4.307) 5.133 7.957 ( 10.245 -5.700 0.913) 11.760 8.076 ( 0.773 -9.334 10.323) 13.939 9.736 ( -11.327 9.388 -5.524) 15.714 9.904 ( -18.429 0.874 -9.197) 20.615 16.051 ( 5.024 1.067 0.449) 5.156 16.116 ( 4.088 -1.906 1.004) 4.621 17.432 ( -0.771 0.546 -3.299) 3.431 17.455 ( -0.906 -0.503 -2.996) 3.171 22.739 ( -0.998 0.796 -0.362) 1.327 22.749 ( -1.757 0.522 -0.540) 1.911 26.444 ( -1.776 0.170 0.465) 1.843 26.462 ( -1.887 -0.448 0.081) 1.941 35.206 ( 20.378 -1.614 -5.991) 21.302 35.336 ( 21.643 -8.016 -1.313) 23.117 36.852 ( -5.658 1.583 7.247) 9.329 37.052 ( -7.125 -8.355 19.114) 22.044======================= Grid point 111 (44/125) =======================q-point: ( 0.33 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.087 ( 12.328 14.893 3.732) 19.691 2.473 ( 3.316 1.350 7.044) 7.902 2.813 ( 8.377 3.863 2.394) 9.530 3.076 ( 9.248 -5.798 -0.288) 10.919 3.152 ( 2.487 7.913 -0.928) 8.346 3.454 ( 16.754 -7.312 2.680) 18.475 3.614 ( -4.211 16.717 12.485) 21.285 3.838 ( -2.283 5.953 1.633) 6.582 3.898 ( -8.665 -3.998 10.115) 13.906 4.014 ( -4.639 0.817 5.815) 7.484 4.680 ( 10.784 8.040 2.668) 13.713 4.818 ( 2.520 6.953 0.954) 7.457 5.278 ( 1.741 -1.628 2.297) 3.310 5.564 ( 7.353 4.547 -1.668) 8.804 5.715 ( -3.433 -18.175 0.401) 18.501 5.904 ( -1.922 0.886 0.744) 2.244 5.997 ( 12.760 -2.153 -3.110) 13.308 6.299 ( 5.019 -7.996 0.614) 9.461 6.619 ( -2.307 0.246 -5.506) 5.975 6.637 ( -1.750 0.830 -2.890) 3.479 7.324 ( 2.100 4.306 -0.599) 4.828 7.398 ( 4.282 0.245 1.513) 4.548 7.449 ( -0.133 -1.489 -3.102) 3.444 7.544 ( 4.295 -0.371 -5.895) 7.303 7.816 ( 1.074 -0.705 0.858) 1.545 7.881 ( 10.115 6.933 1.598) 12.366 8.078 ( -0.884 -8.276 6.991) 10.870 8.114 ( 5.008 -1.887 1.249) 5.495 9.497 ( -12.034 6.397 -4.990) 14.514 9.554 ( -15.535 2.557 -6.739) 17.125 16.149 ( 4.475 0.531 0.699) 4.560 16.191 ( 3.183 -1.418 1.307) 3.722 17.424 ( -0.088 0.323 -3.659) 3.674 17.440 ( -0.584 -0.374 -3.266) 3.339 22.719 ( -0.853 0.686 -0.209) 1.115 22.723 ( -0.888 0.443 0.014) 0.993 26.416 ( -0.979 -0.009 0.486) 1.093 26.428 ( -1.376 -0.361 0.200) 1.437 35.565 ( 15.914 -0.685 -4.595) 16.578 35.719 ( 14.892 -8.187 -5.095) 17.742 36.747 ( -4.268 -0.170 7.604) 8.722 36.904 ( -7.408 -7.634 15.978) 19.195======================= Grid point 112 (45/125) =======================q-point: ( 0.44 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( 10.389 9.327 2.854) 14.250 2.468 ( -3.966 3.266 4.313) 6.708 2.941 ( 5.899 5.357 4.279) 9.044 3.057 ( -5.221 2.900 1.952) 6.283 3.343 ( 11.052 10.731 0.361) 15.409 3.529 ( -6.469 19.583 4.452) 21.098 3.634 ( 3.981 -6.803 11.185) 13.683 3.735 ( -6.724 -3.093 12.989) 14.950 3.860 ( 3.882 0.467 1.894) 4.344 3.934 ( -3.516 1.036 1.979) 4.166 4.848 ( 4.768 1.370 1.344) 5.140 4.870 ( 1.799 2.443 0.354) 3.055 5.368 ( 7.789 -7.955 3.609) 11.704 5.550 ( -8.835 -16.224 3.391) 18.783 5.721 ( 5.272 6.563 -1.789) 8.607 5.824 ( -4.817 5.985 -0.396) 7.693 6.279 ( 12.814 -3.472 -5.678) 14.439 6.398 ( 2.797 -6.377 -3.223) 7.673 6.544 ( -3.203 3.097 -4.396) 6.259 6.582 ( -4.435 0.343 -2.648) 5.177 7.312 ( -0.267 -2.008 0.374) 2.060 7.343 ( -3.366 -3.651 0.412) 4.983 7.626 ( 5.559 2.086 -2.027) 6.274 7.657 ( 5.663 5.178 -1.908) 7.907 7.828 ( 4.534 -4.164 2.150) 6.521 7.998 ( -7.328 -6.127 3.258) 10.092 8.072 ( 7.150 5.524 0.518) 9.050 8.155 ( -1.010 2.375 0.253) 2.593 9.308 ( -5.146 3.975 -5.156) 8.298 9.328 ( -6.784 3.037 -4.436) 8.656 16.217 ( 2.219 -0.064 0.966) 2.421 16.232 ( 0.746 -0.738 1.217) 1.607 17.426 ( 0.224 0.058 -3.700) 3.708 17.431 ( -0.336 -0.172 -3.524) 3.545 22.709 ( -0.184 0.525 0.024) 0.557 22.711 ( -0.381 0.403 0.077) 0.560 26.405 ( -0.194 -0.115 0.384) 0.445 26.409 ( -0.582 -0.215 0.287) 0.684 35.817 ( 8.867 -1.340 -4.796) 10.169 35.890 ( 2.156 -4.537 -5.351) 7.339 36.708 ( 0.723 -3.417 9.458) 10.082 36.773 ( -5.414 -6.292 12.545) 15.042======================= Grid point 117 (46/125) =======================q-point: ( 0.00 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 0.000 -19.185 8.563) 21.010 1.433 ( 0.000 19.185 8.563) 21.010 2.193 ( 0.000 -24.985 -0.461) 24.989 2.193 ( 0.000 24.985 -0.461) 24.989 3.148 ( 0.000 -4.339 4.591) 6.317 3.148 ( 0.000 4.339 4.591) 6.317 3.926 ( 0.000 -3.621 -5.100) 6.255 3.926 ( 0.000 3.621 -5.100) 6.255 4.076 ( 0.000 -7.965 11.523) 14.008 4.076 ( 0.000 7.965 11.523) 14.008 4.917 ( 0.000 -14.996 -1.695) 15.091 4.917 ( 0.000 14.996 -1.695) 15.091 5.156 ( 0.000 -1.595 -0.481) 1.666 5.156 ( 0.000 1.595 -0.481) 1.666 5.617 ( 0.000 -12.564 7.258) 14.510 5.617 ( 0.000 12.564 7.258) 14.510 5.863 ( 0.000 -10.372 -2.477) 10.664 5.863 ( 0.000 10.372 -2.477) 10.664 6.700 ( 0.000 -1.243 0.542) 1.356 6.700 ( 0.000 1.243 0.542) 1.356 7.293 ( 0.000 -10.443 -0.112) 10.443 7.293 ( 0.000 10.443 -0.112) 10.443 7.410 ( 0.000 -10.147 -5.298) 11.447 7.410 ( 0.000 10.147 -5.298) 11.447 7.606 ( 0.000 -5.356 0.065) 5.356 7.606 ( 0.000 5.356 0.065) 5.356 7.831 ( 0.000 -10.230 9.216) 13.769 7.831 ( 0.000 10.230 9.216) 13.769 10.221 ( 0.000 -9.083 -9.481) 13.130 10.221 ( 0.000 9.083 -9.481) 13.130 15.970 ( 0.000 -2.092 0.040) 2.093 15.970 ( 0.000 2.092 0.040) 2.093 17.472 ( 0.000 -0.432 -2.653) 2.688 17.472 ( 0.000 0.432 -2.653) 2.688 22.789 ( 0.000 -1.155 -1.081) 1.581 22.789 ( 0.000 1.155 -1.081) 1.581 26.508 ( 0.000 -0.230 -0.139) 0.269 26.508 ( 0.000 0.230 -0.139) 0.269 34.684 ( 0.000 -8.353 0.950) 8.407 34.684 ( 0.000 8.353 0.950) 8.407 37.070 ( 0.000 -5.331 12.751) 13.820 37.070 ( 0.000 5.331 12.751) 13.820======================= Grid point 119 (47/125) =======================q-point: ( 0.11 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 29.511 -12.616 5.902) 32.633 1.797 ( 29.511 12.616 5.902) 32.633 2.235 ( 5.238 -23.511 0.523) 24.093 2.235 ( 5.238 23.511 0.523) 24.093 3.132 ( -1.053 -3.870 3.914) 5.604 3.132 ( -1.053 3.870 3.914) 5.604 3.960 ( 1.662 -1.888 -2.662) 3.662 3.960 ( 1.662 1.888 -2.662) 3.662 4.048 ( -1.997 -6.561 11.105) 13.052 4.048 ( -1.997 6.561 11.105) 13.052 4.903 ( -1.160 -13.988 -1.400) 14.106 4.903 ( -1.160 13.988 -1.400) 14.106 5.212 ( 5.524 -2.029 -0.587) 5.914 5.212 ( 5.524 2.029 -0.587) 5.914 5.558 ( -4.040 -6.530 6.238) 9.893 5.558 ( -4.040 6.530 6.238) 9.893 5.936 ( 5.427 -4.035 -1.655) 6.962 5.936 ( 5.427 4.035 -1.655) 6.962 6.697 ( -0.284 -1.935 -0.736) 2.089 6.697 ( -0.284 1.935 -0.736) 2.089 7.283 ( 0.497 -7.636 -3.723) 8.510 7.283 ( 0.497 7.636 -3.723) 8.510 7.490 ( 3.711 -6.501 -2.152) 7.789 7.490 ( 3.711 6.501 -2.152) 7.789 7.616 ( 3.783 -0.862 0.442) 3.905 7.616 ( 3.783 0.862 0.442) 3.905 7.852 ( 1.808 -9.077 8.815) 12.782 7.852 ( 1.808 9.077 8.815) 12.782 10.124 ( -9.440 -7.439 -8.923) 14.969 10.124 ( -9.440 7.439 -8.923) 14.969 16.001 ( 3.026 -1.959 0.215) 3.611 16.001 ( 3.026 1.959 0.215) 3.611 17.462 ( -0.874 -0.516 -2.776) 2.956 17.462 ( -0.874 0.516 -2.776) 2.956 22.777 ( -1.134 -0.843 -0.866) 1.657 22.777 ( -1.134 0.843 -0.866) 1.657 26.489 ( -1.670 -0.373 0.010) 1.712 26.489 ( -1.670 0.373 0.010) 1.712 34.847 ( 15.264 -5.764 0.001) 16.316 34.847 ( 15.264 5.764 0.001) 16.316 37.028 ( -4.128 -5.198 12.289) 13.967 37.028 ( -4.128 5.198 12.289) 13.967======================= Grid point 121 (48/125) =======================q-point: ( 0.22 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.216 ( 9.588 -12.927 1.011) 16.126 2.216 ( 9.588 12.927 1.011) 16.126 2.552 ( 25.441 -9.094 4.412) 27.376 2.552 ( 25.441 9.094 4.412) 27.376 3.143 ( 3.419 -1.469 2.367) 4.411 3.143 ( 3.419 1.469 2.367) 4.411 3.910 ( -5.481 -6.247 8.745) 12.065 3.910 ( -5.481 6.247 8.745) 12.065 4.041 ( -0.280 -3.996 3.548) 5.351 4.041 ( -0.280 3.996 3.548) 5.351 4.883 ( -0.599 -10.162 -0.906) 10.220 4.883 ( -0.599 10.162 -0.906) 10.220 5.331 ( 3.025 -11.222 1.970) 11.788 5.331 ( 3.025 11.222 1.970) 11.788 5.542 ( 5.748 -6.577 2.289) 9.030 5.542 ( 5.748 6.577 2.289) 9.030 6.030 ( 3.825 -2.903 -0.601) 4.839 6.030 ( 3.825 2.903 -0.601) 4.839 6.685 ( -1.064 -2.290 -3.408) 4.241 6.685 ( -1.064 2.290 -3.408) 4.241 7.334 ( 4.470 -4.934 -4.148) 7.844 7.334 ( 4.470 4.934 -4.148) 7.844 7.473 ( -2.879 -0.461 -2.393) 3.772 7.473 ( -2.879 0.461 -2.393) 3.772 7.799 ( 11.304 -7.669 1.055) 13.700 7.799 ( 11.304 7.669 1.055) 13.700 7.891 ( 2.129 -6.764 7.771) 10.520 7.891 ( 2.129 6.764 7.771) 10.520 9.874 ( -14.830 -3.933 -7.609) 17.126 9.874 ( -14.830 3.933 -7.609) 17.126 16.079 ( 4.490 -1.598 0.561) 4.798 16.079 ( 4.490 1.598 0.561) 4.798 17.444 ( -0.847 -0.575 -3.073) 3.239 17.444 ( -0.847 0.575 -3.073) 3.239 22.751 ( -1.373 -0.320 -0.439) 1.477 22.751 ( -1.373 0.320 -0.439) 1.477 26.452 ( -1.877 -0.478 0.231) 1.950 26.452 ( -1.877 0.478 0.231) 1.950 35.220 ( 20.425 -3.111 -1.571) 20.720 35.220 ( 20.425 3.111 -1.571) 20.720 36.918 ( -6.556 -4.764 11.108) 13.750 36.918 ( -6.556 4.764 11.108) 13.750======================= Grid point 123 (49/125) =======================q-point: ( 0.33 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 6.538 -10.699 1.511) 12.629 2.366 ( 6.538 10.699 1.511) 12.629 2.922 ( 10.229 -6.753 4.569) 13.081 2.922 ( 10.229 6.753 4.569) 13.081 3.308 ( 11.758 -6.932 0.082) 13.649 3.308 ( 11.758 6.932 0.082) 13.649 3.798 ( -4.926 -4.871 13.187) 14.896 3.798 ( -4.926 4.871 13.187) 14.896 4.001 ( -3.550 -4.787 2.054) 6.304 4.001 ( -3.550 4.787 2.054) 6.304 4.887 ( 1.062 -5.255 -0.604) 5.395 4.887 ( 1.062 5.255 -0.604) 5.395 5.314 ( -2.372 -10.484 5.333) 11.999 5.314 ( -2.372 10.484 5.333) 11.999 5.745 ( 9.956 -9.321 -1.292) 13.699 5.745 ( 9.956 9.321 -1.292) 13.699 6.115 ( 6.158 -8.355 -1.107) 10.438 6.115 ( 6.158 8.355 -1.107) 10.438 6.649 ( -2.600 -0.899 -5.250) 5.927 6.649 ( -2.600 0.899 -5.250) 5.927 7.359 ( -3.490 -2.062 1.779) 4.427 7.359 ( -3.490 2.062 1.779) 4.427 7.511 ( 8.160 -3.028 -7.057) 11.205 7.511 ( 8.160 3.028 -7.057) 11.205 7.894 ( -0.486 -7.843 5.841) 9.791 7.894 ( -0.486 7.843 5.841) 9.791 8.029 ( 9.278 -6.231 1.282) 11.249 8.029 ( 9.278 6.231 1.282) 11.249 9.574 ( -14.282 -1.126 -6.211) 15.614 9.574 ( -14.282 1.126 -6.211) 15.614 16.165 ( 3.842 -1.048 0.821) 4.066 16.165 ( 3.842 1.048 0.821) 4.066 17.432 ( -0.364 -0.415 -3.375) 3.419 17.432 ( -0.364 0.415 -3.375) 3.419 22.727 ( -0.933 -0.099 -0.104) 0.944 22.727 ( -0.933 0.099 -0.104) 0.944 26.421 ( -1.183 -0.338 0.309) 1.269 26.421 ( -1.183 0.338 0.309) 1.269 35.593 ( 16.041 -3.664 -2.231) 16.605 35.593 ( 16.041 3.664 -2.231) 16.605 36.786 ( -6.299 -3.811 9.685) 12.165 36.786 ( -6.299 3.811 9.685) 12.165======================= Grid point 125 (50/125) =======================q-point: ( 0.44 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 2.830 -3.879 2.163) 5.266 2.465 ( 2.830 3.879 2.163) 5.266 3.040 ( 2.975 -3.842 1.559) 5.103 3.040 ( 2.975 3.842 1.559) 5.103 3.466 ( 2.751 -5.872 7.010) 9.549 3.466 ( 2.751 5.872 7.010) 9.549 3.759 ( 1.201 -1.959 9.935) 10.197 3.759 ( 1.201 1.959 9.935) 10.197 3.923 ( -3.404 -3.944 1.108) 5.326 3.923 ( -3.404 3.944 1.108) 5.326 4.915 ( 1.220 -1.384 -0.561) 1.929 4.915 ( 1.220 1.384 -0.561) 1.929 5.274 ( -1.271 -4.345 6.171) 7.653 5.274 ( -1.271 4.345 6.171) 7.653 5.852 ( 1.687 -3.976 0.293) 4.329 5.852 ( 1.687 3.976 0.293) 4.329 6.274 ( 7.109 -4.165 -5.714) 10.026 6.274 ( 7.109 4.165 -5.714) 10.026 6.589 ( -2.894 -0.669 -4.853) 5.690 6.589 ( -2.894 0.669 -4.853) 5.690 7.292 ( -2.260 -0.727 1.735) 2.940 7.292 ( -2.260 0.727 1.735) 2.940 7.694 ( 9.102 -3.837 -3.056) 10.339 7.694 ( 9.102 3.837 -3.056) 10.339 7.840 ( -5.057 -7.473 2.459) 9.352 7.840 ( -5.057 7.473 2.459) 9.352 8.162 ( 3.644 -2.276 1.302) 4.489 8.162 ( 3.644 2.276 1.302) 4.489 9.357 ( -6.356 -0.527 -5.273) 8.275 9.357 ( -6.356 0.527 -5.273) 8.275 16.220 ( 1.497 -0.364 0.933) 1.802 16.220 ( 1.498 0.364 0.933) 1.802 17.428 ( -0.065 -0.144 -3.550) 3.553 17.428 ( -0.065 0.144 -3.550) 3.553 22.715 ( -0.312 -0.047 0.053) 0.321 22.715 ( -0.312 0.047 0.053) 0.321 26.405 ( -0.379 -0.112 0.304) 0.498 26.405 ( -0.379 0.112 0.304) 0.498 35.821 ( 6.167 -1.837 -2.124) 6.776 35.821 ( 6.167 1.837 -2.124) 6.776 36.689 ( -2.830 -1.649 8.649) 9.249 36.689 ( -2.830 1.649 8.649) 9.249======================= Grid point 162 (51/125) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.804 ( 0.000 0.000 19.943) 19.943 0.967 ( 0.000 0.000 23.591) 23.591 2.289 ( 0.000 0.000 47.574) 47.574 2.636 ( 0.000 0.000 -8.480) 8.480 2.800 ( 0.000 0.000 -8.481) 8.481 3.221 ( 0.000 0.000 -8.800) 8.800 3.574 ( 0.000 0.000 4.904) 4.904 3.645 ( 0.000 0.000 2.743) 2.743 3.654 ( 0.000 0.000 -13.887) 13.887 3.681 ( 0.000 0.000 -15.691) 15.691 4.805 ( 0.000 0.000 20.429) 20.429 4.947 ( 0.000 0.000 0.277) 0.277 5.210 ( 0.000 0.000 -6.374) 6.374 5.334 ( 0.000 0.000 5.254) 5.254 5.635 ( 0.000 0.000 2.252) 2.252 5.678 ( 0.000 0.000 -3.306) 3.306 5.805 ( 0.000 0.000 28.910) 28.910 6.282 ( 0.000 0.000 -3.235) 3.235 6.426 ( 0.000 0.000 0.609) 0.609 6.662 ( 0.000 0.000 8.096) 8.096 6.775 ( 0.000 0.000 2.528) 2.528 7.377 ( 0.000 0.000 -11.132) 11.132 7.636 ( 0.000 0.000 1.448) 1.448 7.702 ( 0.000 0.000 -0.653) 0.653 8.000 ( 0.000 0.000 -0.331) 0.331 8.011 ( 0.000 0.000 0.113) 0.113 8.125 ( 0.000 0.000 -0.947) 0.947 8.338 ( 0.000 0.000 2.105) 2.105 8.772 ( 0.000 0.000 -4.752) 4.752 10.118 ( 0.000 0.000 -17.532) 17.532 15.864 ( 0.000 0.000 0.149) 0.149 16.081 ( 0.000 0.000 -0.147) 0.147 17.373 ( 0.000 0.000 -5.444) 5.444 17.545 ( 0.000 0.000 -0.408) 0.408 22.653 ( 0.000 0.000 0.015) 0.015 22.720 ( 0.000 0.000 0.185) 0.185 26.505 ( 0.000 0.000 -0.808) 0.808 26.566 ( 0.000 0.000 1.986) 1.986 34.298 ( 0.000 0.000 1.602) 1.602 35.176 ( 0.000 0.000 1.259) 1.259 37.124 ( 0.000 0.000 6.779) 6.779 39.351 ( 0.000 0.000 0.436) 0.436======================= Grid point 163 (52/125) =======================q-point: ( 0.11 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 3.473 0.000 18.464) 18.788 1.654 ( 50.423 0.000 10.729) 51.552 2.368 ( 9.245 0.000 44.794) 45.738 2.616 ( -1.809 0.000 -8.201) 8.398 2.786 ( -1.442 0.000 -8.318) 8.442 3.246 ( -18.527 0.000 -4.467) 19.057 3.324 ( 8.655 0.000 -7.579) 11.505 3.609 ( -2.137 0.000 0.161) 2.143 3.841 ( 14.089 0.000 -9.212) 16.833 3.973 ( 17.532 0.000 -3.914) 17.964 4.737 ( -4.756 0.000 20.368) 20.916 5.021 ( 4.264 0.000 3.892) 5.773 5.171 ( -5.156 0.000 0.339) 5.167 5.301 ( -2.839 0.000 3.928) 4.846 5.692 ( 0.904 0.000 -2.670) 2.819 5.700 ( 9.381 0.000 7.086) 11.756 5.806 ( 0.967 0.000 14.042) 14.075 6.187 ( -6.516 0.000 -4.018) 7.656 6.513 ( 5.475 0.000 3.130) 6.307 6.733 ( 6.507 0.000 6.245) 9.019 6.786 ( 1.734 0.000 2.312) 2.890 7.383 ( 0.190 0.000 -10.020) 10.022 7.546 ( -5.986 0.000 -3.169) 6.773 7.711 ( 0.954 0.000 -0.575) 1.114 7.917 ( -6.081 0.000 -0.818) 6.135 7.993 ( -1.843 0.000 0.162) 1.851 8.304 ( 11.120 0.000 0.742) 11.145 8.316 ( -2.248 0.000 2.102) 3.078 8.823 ( 4.456 0.000 -4.768) 6.526 9.933 ( -16.076 0.000 -13.608) 21.063 15.925 ( 5.165 0.000 -0.130) 5.167 16.148 ( 5.902 0.000 -0.699) 5.943 17.359 ( -1.377 0.000 -4.939) 5.128 17.485 ( -4.650 0.000 -0.296) 4.660 22.654 ( 0.146 0.000 0.014) 0.146 22.717 ( -0.281 0.000 0.183) 0.335 26.490 ( -1.316 0.000 -0.760) 1.520 26.551 ( -1.373 0.000 1.901) 2.345 34.573 ( 22.593 0.000 -9.851) 24.647 35.290 ( 10.872 0.000 -0.768) 10.899 37.109 ( -1.196 0.000 7.456) 7.551 39.073 ( -24.396 0.000 10.172) 26.432======================= Grid point 164 (53/125) =======================q-point: ( 0.22 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( 9.450 0.000 14.009) 16.899 2.374 ( 17.963 0.000 30.755) 35.616 2.572 ( -2.674 0.000 -8.236) 8.659 2.734 ( -5.002 0.000 -7.230) 8.792 2.865 ( 40.056 0.000 8.081) 40.863 2.884 ( -16.446 0.000 -4.654) 17.092 3.493 ( 5.296 0.000 0.272) 5.303 3.587 ( 2.414 0.000 -0.634) 2.496 4.172 ( 17.649 0.000 0.533) 17.657 4.311 ( 16.348 0.000 -2.028) 16.473 4.651 ( -2.893 0.000 22.368) 22.554 4.974 ( -10.531 0.000 21.465) 23.909 5.118 ( 3.364 0.000 -5.724) 6.640 5.241 ( -3.038 0.000 1.655) 3.459 5.699 ( -0.191 0.000 -2.163) 2.171 5.818 ( 2.299 0.000 1.846) 2.948 6.058 ( -6.458 0.000 -5.165) 8.269 6.087 ( 25.678 0.000 0.149) 25.679 6.611 ( 4.596 0.000 5.453) 7.132 6.786 ( 0.825 0.000 4.306) 4.384 6.953 ( 12.209 0.000 2.334) 12.430 7.316 ( -8.020 0.000 -9.061) 12.101 7.496 ( 0.672 0.000 -8.443) 8.469 7.744 ( 2.414 0.000 -0.330) 2.436 7.776 ( -6.758 0.000 -0.290) 6.765 7.936 ( -4.015 0.000 0.309) 4.027 8.251 ( -4.187 0.000 2.052) 4.663 8.464 ( 4.722 0.000 4.025) 6.205 8.900 ( 2.081 0.000 -2.013) 2.895 9.589 ( -16.740 0.000 -12.617) 20.962 16.042 ( 6.360 0.000 0.498) 6.379 16.265 ( 4.873 0.000 0.451) 4.894 17.327 ( -1.379 0.000 -4.139) 4.363 17.409 ( -2.672 0.000 -2.853) 3.909 22.659 ( 0.288 0.000 0.015) 0.289 22.709 ( -0.491 0.000 0.172) 0.520 26.460 ( -1.523 0.000 -0.600) 1.637 26.516 ( -2.089 0.000 1.621) 2.644 35.014 ( 20.086 0.000 -16.767) 26.165 35.547 ( 12.761 0.000 -7.408) 14.755 37.099 ( 0.950 0.000 9.651) 9.698 38.538 ( -27.043 0.000 19.655) 33.431======================= Grid point 165 (54/125) =======================q-point: ( 0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 15.837 0.000 8.112) 17.793 2.394 ( -18.548 0.000 -6.277) 19.582 2.592 ( -1.982 0.000 -4.226) 4.668 2.680 ( 15.340 0.000 33.544) 36.885 2.719 ( -3.873 0.000 -6.983) 7.985 3.437 ( 0.518 0.000 8.562) 8.577 3.513 ( 13.156 0.000 -4.758) 13.990 3.739 ( 8.064 0.000 0.611) 8.088 4.427 ( 3.969 0.000 14.336) 14.876 4.615 ( 14.216 0.000 -1.001) 14.252 4.747 ( -4.024 0.000 21.606) 21.977 4.773 ( 12.156 0.000 13.897) 18.464 5.173 ( -4.185 0.000 0.052) 4.186 5.213 ( 5.530 0.000 -4.381) 7.055 5.696 ( 0.362 0.000 -2.763) 2.787 5.897 ( 7.040 0.000 -3.521) 7.872 5.932 ( -6.196 0.000 -5.753) 8.455 6.623 ( 25.479 0.000 -4.858) 25.938 6.695 ( 3.736 0.000 5.696) 6.812 6.797 ( 0.205 0.000 4.865) 4.869 7.079 ( -16.213 0.000 -8.376) 18.249 7.209 ( 13.057 0.000 1.561) 13.150 7.435 ( -7.573 0.000 -4.534) 8.827 7.777 ( 8.201 0.000 -4.703) 9.453 7.802 ( 1.258 0.000 0.032) 1.258 7.839 ( -3.589 0.000 0.628) 3.644 8.153 ( -5.569 0.000 1.858) 5.871 8.486 ( -3.065 0.000 7.338) 7.952 8.901 ( -0.665 0.000 -0.315) 0.735 9.300 ( -12.513 0.000 -13.454) 18.373 16.167 ( 5.986 0.000 1.280) 6.121 16.327 ( 1.465 0.000 2.097) 2.558 17.316 ( 0.207 0.000 -4.815) 4.819 17.371 ( -1.396 0.000 -4.473) 4.686 22.666 ( 0.421 0.000 0.029) 0.422 22.698 ( -0.595 0.000 0.145) 0.612 26.435 ( -0.914 0.000 -0.196) 0.934 26.474 ( -1.989 0.000 1.224) 2.335 35.359 ( 14.815 0.000 -16.126) 21.898 35.726 ( 4.592 0.000 -12.484) 13.302 37.171 ( 6.642 0.000 13.018) 14.615 38.046 ( -22.231 0.000 20.891) 30.507======================= Grid point 166 (55/125) =======================q-point: ( 0.44 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 19.933 0.000 2.779) 20.126 1.985 ( -21.302 0.000 -1.623) 21.364 2.600 ( 1.786 0.000 -5.781) 6.051 2.650 ( -3.127 0.000 -6.522) 7.233 2.991 ( 15.570 0.000 28.006) 32.043 3.273 ( -12.084 0.000 19.453) 22.901 3.736 ( 7.100 0.000 -1.239) 7.207 3.815 ( -0.566 0.000 0.495) 0.752 4.467 ( 2.946 0.000 17.616) 17.860 4.571 ( -7.427 0.000 18.908) 20.314 4.869 ( 11.295 0.000 -0.548) 11.308 5.058 ( -7.643 0.000 -0.418) 7.655 5.147 ( 13.800 0.000 0.470) 13.808 5.282 ( -0.512 0.000 -2.634) 2.683 5.729 ( 3.136 0.000 -4.258) 5.288 5.816 ( -5.340 0.000 -5.463) 7.640 6.173 ( 21.532 0.000 -2.224) 21.646 6.662 ( -24.615 0.000 -3.800) 24.907 6.757 ( 2.424 0.000 5.525) 6.033 6.790 ( -0.991 0.000 5.311) 5.403 7.033 ( 15.096 0.000 -7.513) 16.862 7.264 ( -9.391 0.000 -7.036) 11.734 7.457 ( 11.752 0.000 1.085) 11.802 7.668 ( -9.344 0.000 0.717) 9.371 7.915 ( 5.717 0.000 0.853) 5.780 8.033 ( 15.749 0.000 -1.936) 15.868 8.035 ( -6.170 0.000 1.444) 6.337 8.328 ( -12.431 0.000 4.569) 13.244 8.935 ( 4.684 0.000 -3.134) 5.635 9.081 ( -9.584 0.000 -8.471) 12.791 16.269 ( 4.140 0.000 1.933) 4.569 16.326 ( -1.516 0.000 2.376) 2.818 17.328 ( 0.899 0.000 -5.161) 5.238 17.348 ( -1.030 0.000 -4.991) 5.096 22.675 ( 0.532 0.000 0.061) 0.535 22.686 ( -0.599 0.000 0.104) 0.608 26.427 ( 0.142 0.000 0.314) 0.345 26.441 ( -1.236 0.000 0.789) 1.467 35.601 ( 9.503 0.000 -15.261) 17.978 35.732 ( -3.517 0.000 -14.394) 14.817 37.362 ( 12.398 0.000 16.264) 20.451 37.656 ( -17.181 0.000 18.951) 25.580======================= Grid point 171 (56/125) =======================q-point: ( 0.00 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.013 ( 0.000 4.353 22.428) 22.847 1.174 ( 0.000 25.154 17.861) 30.851 2.372 ( 0.000 10.379 40.110) 41.431 2.668 ( 0.000 2.674 -8.672) 9.075 2.910 ( 0.000 -21.024 -0.427) 21.029 2.986 ( 0.000 14.994 -12.073) 19.251 3.564 ( 0.000 -6.063 -1.767) 6.315 3.670 ( 0.000 -0.590 -14.945) 14.957 3.769 ( 0.000 9.265 -9.157) 13.027 3.788 ( 0.000 11.003 -3.019) 11.410 4.773 ( 0.000 -1.619 22.655) 22.713 5.010 ( 0.000 6.342 -0.116) 6.343 5.187 ( 0.000 -1.910 -5.496) 5.818 5.281 ( 0.000 -9.448 10.685) 14.263 5.505 ( 0.000 -7.616 1.655) 7.794 5.766 ( 0.000 2.420 26.214) 26.325 5.782 ( 0.000 5.761 -3.085) 6.535 6.348 ( 0.000 5.621 -3.666) 6.711 6.539 ( 0.000 9.814 0.506) 9.827 6.705 ( 0.000 2.849 6.938) 7.500 6.790 ( 0.000 0.683 1.258) 1.431 7.394 ( 0.000 2.509 -8.739) 9.092 7.607 ( 0.000 -2.467 1.183) 2.736 7.684 ( 0.000 -1.955 -0.463) 2.009 7.745 ( 0.000 -21.289 -1.452) 21.339 7.966 ( 0.000 -3.211 -0.317) 3.226 8.011 ( 0.000 -15.152 3.662) 15.588 8.336 ( 0.000 8.358 0.523) 8.374 9.114 ( 0.000 21.274 -7.074) 22.419 10.099 ( 0.000 -1.458 -19.084) 19.139 15.872 ( 0.000 0.769 0.142) 0.782 16.072 ( 0.000 -0.810 -0.128) 0.820 17.375 ( 0.000 0.229 -5.261) 5.266 17.514 ( 0.000 -2.449 -0.209) 2.458 22.682 ( 0.000 2.218 -1.336) 2.589 22.728 ( 0.000 0.814 -0.050) 0.815 26.505 ( 0.000 -0.040 -0.646) 0.648 26.550 ( 0.000 -1.219 1.950) 2.300 34.327 ( 0.000 2.810 1.591) 3.229 35.138 ( 0.000 -3.553 1.279) 3.776 37.113 ( 0.000 -0.702 7.235) 7.269 38.907 ( 0.000 -34.785 18.170) 39.245======================= Grid point 172 (57/125) =======================q-point: ( 0.11 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 3.438 23.148 17.224) 29.057 1.674 ( 46.619 2.107 10.914) 47.926 2.446 ( 8.482 9.663 37.078) 39.244 2.633 ( -2.359 0.664 -7.496) 7.887 2.920 ( -1.529 4.712 -7.207) 8.746 3.025 ( 2.530 -6.230 -3.732) 7.690 3.492 ( -5.349 3.744 -7.853) 10.212 3.580 ( -4.305 2.804 -2.396) 5.669 3.829 ( 14.107 -0.366 -8.663) 16.559 4.073 ( 14.952 6.620 -3.954) 16.823 4.719 ( -4.357 -0.830 22.019) 22.461 5.022 ( -2.106 -1.202 11.908) 12.153 5.135 ( -2.503 -0.693 -2.048) 3.307 5.316 ( 0.856 -2.032 -0.350) 2.232 5.567 ( 9.030 -7.793 4.410) 12.717 5.764 ( 0.419 4.528 7.299) 8.600 5.806 ( 1.792 2.557 6.444) 7.161 6.269 ( -5.430 6.589 -3.878) 9.378 6.600 ( 3.457 6.831 3.586) 8.454 6.780 ( 4.927 3.530 4.666) 7.649 6.813 ( 5.106 2.650 1.105) 5.858 7.383 ( -2.741 -0.147 -7.285) 7.785 7.483 ( -5.585 -6.660 -4.923) 9.989 7.683 ( 1.486 -2.704 -0.738) 3.172 7.800 ( -2.825 -11.922 0.183) 12.254 7.981 ( 2.945 -2.269 1.276) 3.931 8.044 ( 1.846 -13.247 2.374) 13.585 8.375 ( 3.845 4.409 1.294) 5.991 9.117 ( 0.093 19.080 -6.451) 20.141 9.925 ( -15.470 -0.480 -15.679) 22.031 15.928 ( 4.913 0.361 0.019) 4.927 16.131 ( 5.273 -1.491 -0.323) 5.489 17.362 ( -1.333 0.262 -4.813) 5.001 17.467 ( -3.694 -1.409 -0.633) 4.004 22.678 ( -0.315 1.903 -0.898) 2.127 22.724 ( -0.382 0.666 0.053) 0.770 26.489 ( -1.348 -0.077 -0.587) 1.473 26.537 ( -1.281 -1.171 1.880) 2.559 34.583 ( 21.490 1.091 -7.981) 22.950 35.253 ( 10.989 -3.503 -0.280) 11.537 37.094 ( -1.660 -1.115 7.777) 8.030 38.718 ( -17.259 -28.780 20.966) 39.570======================= Grid point 173 (58/125) =======================q-point: ( 0.22 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 7.787 23.513 13.251) 28.090 2.378 ( 18.506 1.458 23.816) 30.196 2.598 ( -0.858 1.652 -6.346) 6.613 2.788 ( 10.726 5.915 -1.403) 12.329 2.883 ( -2.443 2.518 1.012) 3.652 3.001 ( 12.118 7.943 -1.475) 14.565 3.482 ( 0.516 -1.656 0.087) 1.737 3.565 ( 4.897 0.357 -2.845) 5.675 4.167 ( 18.073 0.094 0.980) 18.100 4.355 ( 13.382 2.409 0.005) 13.597 4.636 ( -2.769 -0.364 22.262) 22.436 4.881 ( -9.780 -7.052 23.466) 26.382 5.153 ( 3.124 3.355 -6.457) 7.919 5.287 ( -2.536 2.202 0.703) 3.431 5.734 ( -0.263 1.908 -3.847) 4.302 5.813 ( 5.428 0.777 1.902) 5.804 5.928 ( 11.041 -5.420 -0.467) 12.309 6.208 ( 3.512 6.348 -1.878) 7.493 6.661 ( 2.989 3.397 5.867) 7.409 6.830 ( 2.663 3.848 2.644) 5.375 7.023 ( 11.938 6.014 1.399) 13.440 7.243 ( -8.929 -7.480 -7.624) 13.922 7.470 ( 1.546 -2.134 -8.112) 8.529 7.672 ( -5.775 -6.978 1.029) 9.116 7.747 ( 2.828 -2.542 -1.413) 4.057 7.995 ( -1.857 3.860 0.330) 4.296 8.060 ( -0.653 -11.429 2.861) 11.800 8.456 ( 3.148 -1.150 4.087) 5.285 9.102 ( -2.080 14.422 -3.722) 15.039 9.582 ( -17.117 -0.249 -13.835) 22.010 16.042 ( 6.252 0.060 0.540) 6.276 16.241 ( 4.883 -2.101 0.653) 5.356 17.331 ( -1.351 0.364 -4.136) 4.366 17.404 ( -2.365 -0.403 -3.027) 3.862 22.673 ( -0.098 1.281 -0.334) 1.328 22.715 ( -0.558 0.483 0.130) 0.749 26.459 ( -1.539 -0.127 -0.471) 1.614 26.503 ( -1.929 -1.012 1.636) 2.725 35.016 ( 20.203 0.285 -14.824) 25.060 35.519 ( 13.679 -2.655 -6.095) 15.209 37.070 ( -0.028 -2.468 9.632) 9.943 38.314 ( -21.625 -19.174 23.083) 36.988======================= Grid point 174 (59/125) =======================q-point: ( 0.33 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 13.435 21.629 8.360) 26.799 2.498 ( -11.615 8.694 2.006) 14.646 2.606 ( 1.079 2.311 -4.491) 5.165 2.759 ( 8.712 6.574 21.090) 23.746 2.792 ( -3.748 7.497 -5.086) 9.804 3.429 ( -4.752 -1.861 7.480) 9.055 3.502 ( 18.793 0.227 -6.232) 19.801 3.732 ( 8.329 -0.375 0.490) 8.352 4.388 ( 1.806 -3.414 16.492) 16.938 4.599 ( 4.675 -3.818 8.077) 10.083 4.706 ( -0.581 -0.951 16.219) 16.257 4.759 ( 16.798 -1.055 12.510) 20.971 5.207 ( -0.158 3.067 -3.324) 4.526 5.274 ( 3.620 5.057 -1.344) 6.363 5.702 ( -1.408 0.558 -3.089) 3.440 5.927 ( 7.447 2.858 -4.497) 9.157 5.949 ( -4.774 1.255 -5.895) 7.689 6.503 ( 17.088 -7.366 -0.185) 18.609 6.717 ( 2.290 0.285 6.114) 6.535 6.911 ( 6.036 8.307 0.712) 10.293 6.972 ( -14.629 -8.572 -6.395) 18.121 7.311 ( 11.904 7.160 0.793) 13.914 7.426 ( -6.490 -0.541 -4.749) 8.060 7.665 ( 7.223 -7.393 -1.859) 10.501 7.833 ( 5.266 -1.031 -2.534) 5.934 7.920 ( -5.179 7.612 -0.234) 9.210 8.024 ( -2.757 -9.104 2.756) 9.904 8.463 ( -3.256 -2.438 6.702) 7.840 9.030 ( -4.334 9.896 -1.847) 10.960 9.290 ( -12.056 -0.572 -13.542) 18.140 16.165 ( 5.837 -0.178 1.223) 5.967 16.308 ( 1.845 -1.706 1.946) 3.179 17.319 ( 0.101 0.275 -4.730) 4.739 17.369 ( -1.325 -0.143 -4.462) 4.657 22.675 ( 0.206 0.806 -0.065) 0.835 22.703 ( -0.611 0.401 0.136) 0.744 26.434 ( -0.940 -0.156 -0.149) 0.964 26.465 ( -1.798 -0.740 1.240) 2.306 35.366 ( 15.103 0.716 -14.590) 21.012 35.720 ( 5.642 -0.610 -11.100) 12.467 37.120 ( 5.488 -4.595 12.714) 14.590 37.903 ( -19.307 -12.762 21.626) 31.675======================= Grid point 175 (60/125) =======================q-point: ( 0.44 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 17.495 18.586 3.813) 25.808 2.163 ( -18.698 14.866 0.229) 23.889 2.647 ( 2.930 5.124 -5.952) 8.383 2.715 ( -3.778 6.627 -6.298) 9.892 3.020 ( 14.151 2.744 23.708) 27.746 3.274 ( -10.724 0.073 15.773) 19.074 3.742 ( 7.219 0.549 -1.691) 7.434 3.816 ( -0.128 0.155 0.544) 0.580 4.401 ( 1.949 -5.543 20.018) 20.862 4.489 ( -6.650 -6.898 20.546) 22.670 4.871 ( 9.545 -0.109 0.904) 9.589 4.998 ( -0.562 -3.685 1.847) 4.160 5.257 ( 7.362 7.783 -2.816) 11.077 5.343 ( 0.385 6.080 -2.530) 6.597 5.724 ( 4.224 -0.942 -2.441) 4.968 5.836 ( -6.076 1.525 -4.800) 7.892 6.168 ( 17.969 -0.084 -4.417) 18.504 6.588 ( -21.255 -6.579 -4.523) 22.705 6.711 ( 4.673 -6.544 3.869) 8.924 6.753 ( -0.470 -2.065 6.123) 6.479 7.083 ( 9.520 5.650 -5.006) 12.150 7.258 ( -8.245 0.804 -5.776) 10.099 7.560 ( 11.285 7.410 0.274) 13.503 7.759 ( -7.978 4.625 0.329) 9.228 7.852 ( 6.563 -2.242 1.724) 7.147 7.955 ( -4.120 -5.771 2.118) 7.400 8.021 ( 13.564 -2.011 -3.516) 14.156 8.305 ( -12.478 -2.498 3.300) 13.147 8.994 ( 1.689 4.814 -3.945) 6.449 9.094 ( -7.850 1.362 -8.000) 11.291 16.263 ( 3.910 -0.524 1.802) 4.337 16.315 ( -1.175 -1.043 2.182) 2.688 17.329 ( 0.810 0.082 -5.082) 5.147 17.347 ( -0.980 -0.046 -4.946) 5.043 22.681 ( 0.427 0.540 0.049) 0.690 22.691 ( -0.562 0.418 0.108) 0.709 26.424 ( 0.056 -0.243 0.314) 0.401 26.436 ( -1.079 -0.448 0.787) 1.408 35.612 ( 9.597 1.091 -13.866) 16.898 35.741 ( -3.132 0.825 -13.049) 13.445 37.289 ( 11.261 -6.739 15.916) 20.629 37.556 ( -15.558 -9.098 18.851) 26.080======================= Grid point 180 (61/125) =======================q-point: ( 0.00 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 0.000 8.429 19.722) 21.447 1.594 ( 0.000 15.376 19.689) 24.982 2.461 ( 0.000 -21.491 5.451) 22.171 2.655 ( 0.000 3.367 4.318) 5.476 2.785 ( 0.000 16.293 9.316) 18.769 3.267 ( 0.000 3.874 -2.083) 4.398 3.536 ( 0.000 14.138 -13.552) 19.584 3.663 ( 0.000 0.336 -13.456) 13.460 3.921 ( 0.000 1.590 -6.553) 6.743 3.988 ( 0.000 10.561 -1.752) 10.706 4.747 ( 0.000 -3.734 15.395) 15.842 5.043 ( 0.000 -6.823 26.309) 27.179 5.141 ( 0.000 -1.235 -2.750) 3.014 5.203 ( 0.000 8.870 -3.205) 9.432 5.372 ( 0.000 -2.904 2.669) 3.944 5.876 ( 0.000 4.338 17.367) 17.900 5.891 ( 0.000 4.039 -4.231) 5.849 6.486 ( 0.000 6.708 -3.359) 7.502 6.730 ( 0.000 -4.641 2.397) 5.224 6.771 ( 0.000 -2.350 3.346) 4.089 6.784 ( 0.000 12.918 0.277) 12.921 7.228 ( 0.000 -20.483 -0.068) 20.483 7.501 ( 0.000 7.693 -3.665) 8.521 7.551 ( 0.000 -2.427 0.956) 2.608 7.616 ( 0.000 -4.600 -0.399) 4.617 7.780 ( 0.000 -9.511 2.669) 9.879 7.871 ( 0.000 -5.765 -0.264) 5.771 8.395 ( 0.000 -3.006 4.487) 5.401 9.515 ( 0.000 16.638 -9.827) 19.324 10.072 ( 0.000 -1.070 -20.805) 20.832 15.895 ( 0.000 1.426 0.121) 1.431 16.048 ( 0.000 -1.483 -0.080) 1.485 17.382 ( 0.000 0.439 -4.787) 4.807 17.464 ( 0.000 -2.075 -1.020) 2.312 22.722 ( 0.000 1.464 -1.426) 2.044 22.752 ( 0.000 1.202 -1.267) 1.746 26.504 ( 0.000 -0.020 -0.222) 0.222 26.527 ( 0.000 -0.836 1.283) 1.531 34.413 ( 0.000 5.348 1.560) 5.571 35.033 ( 0.000 -6.398 1.330) 6.535 37.115 ( 0.000 1.411 8.625) 8.740 38.204 ( 0.000 -29.731 28.268) 41.025======================= Grid point 181 (62/125) =======================q-point: ( 0.11 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 14.432 12.717 17.200) 25.804 1.758 ( 30.844 6.595 12.546) 33.944 2.524 ( 4.414 -11.715 2.463) 12.759 2.745 ( 9.098 -1.790 5.113) 10.589 2.809 ( 3.129 14.104 9.503) 17.292 3.204 ( -4.226 5.077 -4.257) 7.858 3.508 ( -2.198 9.960 -9.667) 14.053 3.773 ( -7.372 9.378 -5.782) 13.256 3.851 ( 15.732 3.840 -8.060) 18.089 4.167 ( 10.455 2.269 0.456) 10.708 4.701 ( -3.998 -3.787 14.838) 15.826 4.937 ( -7.319 -1.735 25.992) 27.059 5.182 ( 1.746 0.130 -4.533) 4.859 5.267 ( 3.847 0.991 -1.706) 4.324 5.459 ( 10.006 -0.380 2.331) 10.281 5.863 ( -0.692 3.071 6.112) 6.875 5.895 ( 0.019 4.451 3.884) 5.908 6.418 ( -5.037 6.835 -3.540) 9.199 6.699 ( -0.770 0.228 4.512) 4.583 6.794 ( 2.679 -5.126 1.263) 5.920 6.951 ( 11.974 9.654 0.743) 15.399 7.135 ( -7.559 -15.295 -2.166) 17.198 7.468 ( -1.931 3.693 -3.608) 5.512 7.562 ( -0.110 -7.148 0.819) 7.195 7.636 ( 1.257 -1.955 -0.691) 2.425 7.872 ( 2.513 -6.228 0.968) 6.786 7.896 ( 7.150 -5.595 1.413) 9.188 8.395 ( 0.029 -3.479 4.485) 5.677 9.481 ( -3.356 15.249 -9.150) 18.097 9.925 ( -13.631 0.473 -18.496) 22.982 15.942 ( 4.299 0.972 0.194) 4.412 16.093 ( 4.156 -2.062 0.080) 4.640 17.370 ( -1.226 0.486 -4.494) 4.683 17.437 ( -2.264 -1.345 -1.674) 3.121 22.716 ( -0.561 1.517 -1.293) 2.071 22.743 ( -0.736 1.013 -0.653) 1.412 26.488 ( -1.440 -0.072 -0.102) 1.446 26.514 ( -1.259 -0.867 1.306) 2.011 34.626 ( 18.784 3.186 -4.309) 19.534 35.150 ( 11.316 -6.193 0.626) 12.915 37.085 ( -2.827 0.805 8.841) 9.316 38.106 ( -9.354 -27.068 27.299) 39.566======================= Grid point 182 (63/125) =======================q-point: ( 0.22 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 8.332 17.061 14.324) 23.783 2.427 ( 23.287 2.139 11.397) 26.014 2.606 ( 4.585 -1.369 -3.036) 5.667 2.890 ( 4.474 -2.050 -0.966) 5.015 3.012 ( 12.887 12.287 7.507) 19.324 3.166 ( 5.380 6.110 -3.003) 8.678 3.459 ( -2.876 5.140 -3.057) 6.636 3.678 ( -0.832 8.943 -4.920) 10.241 4.192 ( 15.143 2.544 2.051) 15.492 4.357 ( 9.211 -1.744 8.308) 12.526 4.622 ( -2.775 -4.399 15.562) 16.408 4.793 ( -6.263 2.778 23.997) 24.956 5.227 ( 2.818 2.274 -5.985) 6.995 5.312 ( 1.899 1.621 0.616) 2.572 5.723 ( 12.513 -2.217 -4.566) 13.503 5.842 ( -1.100 2.834 -2.657) 4.037 5.918 ( 3.280 1.464 5.534) 6.597 6.338 ( -1.890 5.644 -1.604) 6.165 6.691 ( -0.385 -0.771 4.953) 5.028 6.856 ( 0.773 -14.683 0.390) 14.709 7.000 ( -2.579 0.282 -3.821) 4.618 7.207 ( 12.961 8.307 0.658) 15.408 7.441 ( -0.687 -0.020 -4.682) 4.732 7.526 ( -2.711 -5.361 -0.066) 6.008 7.681 ( 3.134 -3.292 -1.361) 4.744 7.891 ( 0.779 -4.360 2.018) 4.867 8.045 ( 4.970 -0.528 0.892) 5.077 8.396 ( 0.010 -5.207 4.868) 7.128 9.386 ( -6.189 11.941 -6.872) 15.104 9.599 ( -17.522 2.022 -15.685) 23.603 16.046 ( 5.891 0.425 0.578) 5.935 16.188 ( 4.774 -2.719 0.793) 5.551 17.341 ( -1.290 0.617 -4.115) 4.356 17.394 ( -1.824 -0.534 -3.401) 3.895 22.703 ( -0.595 1.397 -0.723) 1.681 22.728 ( -0.765 0.698 -0.068) 1.038 26.456 ( -1.593 -0.173 -0.022) 1.603 26.482 ( -1.772 -0.870 1.278) 2.352 35.033 ( 20.215 1.599 -10.094) 22.651 35.438 ( 15.783 -5.096 -3.046) 16.863 37.023 ( -2.685 -1.286 9.792) 10.235 37.865 ( -13.998 -21.676 24.621) 35.665======================= Grid point 183 (64/125) =======================q-point: ( 0.33 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 11.985 17.278 9.739) 23.173 2.589 ( -1.658 0.347 3.149) 3.575 2.763 ( 7.612 8.699 3.398) 12.049 2.936 ( 1.556 10.406 3.726) 11.162 3.034 ( -1.430 13.496 -2.009) 13.720 3.389 ( -3.719 2.087 1.124) 4.410 3.525 ( 17.311 0.603 -2.934) 17.568 3.745 ( 5.767 2.438 -0.682) 6.298 4.299 ( -1.268 -5.051 17.286) 18.053 4.455 ( -4.785 -7.756 21.759) 23.591 4.738 ( 14.307 0.421 9.306) 17.072 4.760 ( 4.548 3.917 8.680) 10.553 5.282 ( 3.589 3.523 -3.036) 5.874 5.393 ( 6.529 6.148 0.949) 9.018 5.746 ( -4.299 4.388 -4.013) 7.337 5.914 ( 1.522 -4.610 -7.710) 9.111 6.005 ( 5.291 1.857 -2.073) 5.979 6.397 ( 7.483 -2.375 1.782) 8.051 6.646 ( -6.393 -7.873 0.257) 10.145 6.755 ( -5.693 -10.347 0.808) 11.837 7.115 ( 8.832 10.330 -0.684) 13.608 7.395 ( -2.228 0.272 -2.638) 3.464 7.433 ( 7.570 -1.394 -2.104) 7.980 7.550 ( 6.543 -0.903 0.535) 6.626 7.764 ( 5.895 -3.474 -3.483) 7.678 7.902 ( 0.247 -1.826 2.437) 3.055 8.076 ( -1.413 5.904 0.051) 6.071 8.372 ( -3.544 -6.488 5.253) 9.069 9.228 ( -9.846 8.008 -5.383) 13.786 9.300 ( -10.779 2.193 -12.982) 17.015 16.162 ( 5.412 -0.050 1.067) 5.517 16.264 ( 2.624 -2.350 1.543) 3.846 17.327 ( -0.155 0.491 -4.570) 4.599 17.365 ( -1.160 -0.254 -4.444) 4.600 22.695 ( -0.195 1.053 -0.206) 1.090 22.713 ( -0.658 0.560 0.091) 0.869 26.429 ( -0.984 -0.224 0.077) 1.013 26.449 ( -1.507 -0.731 1.062) 1.983 35.393 ( 15.757 2.009 -10.563) 19.076 35.696 ( 8.783 -1.894 -7.348) 11.607 37.009 ( 1.934 -5.152 11.931) 13.139 37.580 ( -14.244 -16.799 21.105) 30.505======================= Grid point 184 (65/125) =======================q-point: ( 0.44 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( 13.983 15.078 6.051) 21.435 2.443 ( -11.816 8.859 3.507) 15.179 2.857 ( 3.645 14.126 -3.709) 15.053 2.927 ( -2.967 12.099 -3.629) 12.975 3.123 ( 8.902 8.447 10.710) 16.288 3.288 ( -6.778 2.931 6.857) 10.077 3.757 ( 6.970 0.751 -1.930) 7.271 3.821 ( 0.575 0.373 0.092) 0.691 4.271 ( 0.077 -6.572 22.673) 23.606 4.329 ( -5.603 -7.456 25.010) 26.692 4.867 ( 5.750 0.044 2.165) 6.144 4.927 ( 1.486 -2.866 3.043) 4.436 5.420 ( 8.832 7.313 -4.739) 12.407 5.522 ( 2.200 9.820 0.290) 10.068 5.686 ( 2.246 -1.742 -0.146) 2.846 5.834 ( -7.709 -3.297 -0.973) 8.441 6.173 ( 11.191 0.015 -8.311) 13.939 6.426 ( -12.999 -7.880 -7.145) 16.797 6.559 ( 6.902 -6.436 3.871) 10.200 6.672 ( -4.379 -5.518 4.922) 8.594 7.235 ( 3.859 7.577 -2.071) 8.752 7.311 ( -4.226 3.512 -2.885) 6.206 7.631 ( 7.865 -2.616 0.108) 8.289 7.670 ( 3.490 -6.209 1.149) 7.214 7.917 ( 3.114 4.470 1.474) 5.644 7.945 ( 11.969 -3.266 -3.458) 12.880 8.010 ( -4.722 8.805 -0.141) 9.993 8.215 ( -12.357 -6.072 1.557) 13.856 9.092 ( -1.933 4.011 -6.963) 8.265 9.142 ( -5.878 3.215 -6.931) 9.640 16.250 ( 3.303 -0.657 1.479) 3.679 16.287 ( -0.351 -1.469 1.717) 2.287 17.332 ( 0.560 0.177 -4.919) 4.954 17.346 ( -0.825 -0.076 -4.853) 4.923 22.695 ( 0.193 0.754 0.035) 0.779 22.702 ( -0.474 0.585 0.112) 0.761 26.418 ( -0.098 -0.305 0.343) 0.469 26.425 ( -0.798 -0.494 0.706) 1.175 35.648 ( 9.670 2.377 -10.113) 14.193 35.764 ( -1.660 1.325 -9.358) 9.596 37.111 ( 8.125 -9.461 14.725) 19.296 37.315 ( -12.129 -13.023 17.704) 25.103======================= Grid point 189 (66/125) =======================q-point: ( 0.00 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 0.000 12.419 16.682) 20.797 1.897 ( 0.000 15.139 13.931) 20.574 2.033 ( 0.000 -19.451 9.992) 21.867 2.539 ( 0.000 -11.734 -3.080) 12.131 3.085 ( 0.000 9.214 3.111) 9.725 3.234 ( 0.000 -1.723 2.018) 2.654 3.695 ( 0.000 2.849 -11.353) 11.705 3.882 ( 0.000 -4.289 -8.079) 9.147 4.110 ( 0.000 25.458 -5.329) 26.009 4.216 ( 0.000 19.704 4.873) 20.298 4.558 ( 0.000 -10.973 13.133) 17.114 5.075 ( 0.000 3.822 17.797) 18.203 5.123 ( 0.000 -0.027 -1.623) 1.624 5.207 ( 0.000 -3.748 -0.570) 3.791 5.547 ( 0.000 13.572 -1.822) 13.694 5.880 ( 0.000 -3.453 16.186) 16.550 5.919 ( 0.000 -1.984 -4.535) 4.950 6.254 ( 0.000 -28.794 4.019) 29.074 6.639 ( 0.000 5.006 0.604) 5.043 6.759 ( 0.000 -0.676 4.498) 4.548 7.052 ( 0.000 12.462 0.081) 12.462 7.148 ( 0.000 7.011 -1.912) 7.267 7.477 ( 0.000 -7.171 0.247) 7.175 7.543 ( 0.000 0.528 0.098) 0.537 7.570 ( 0.000 -10.046 1.050) 10.101 7.711 ( 0.000 11.421 0.890) 11.456 7.737 ( 0.000 -6.794 -0.135) 6.795 8.238 ( 0.000 -11.015 6.142) 12.612 9.798 ( 0.000 10.664 -12.168) 16.179 10.043 ( 0.000 -2.181 -19.040) 19.164 15.929 ( 0.000 1.874 0.087) 1.876 16.012 ( 0.000 -1.914 -0.018) 1.914 17.393 ( 0.000 0.627 -4.152) 4.199 17.430 ( 0.000 -1.277 -2.343) 2.668 22.747 ( 0.000 1.045 -1.082) 1.504 22.768 ( 0.000 0.285 -1.620) 1.645 26.505 ( 0.000 0.122 0.136) 0.183 26.515 ( 0.000 -0.396 0.588) 0.708 34.545 ( 0.000 7.296 1.515) 7.451 34.881 ( 0.000 -8.037 1.396) 8.158 37.190 ( 0.000 6.070 11.352) 12.873 37.698 ( 0.000 -19.422 23.224) 30.274======================= Grid point 190 (67/125) =======================q-point: ( 0.11 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 28.017 8.865 12.509) 31.938 1.966 ( 10.820 13.045 11.525) 20.495 2.234 ( 16.817 -14.006 7.831) 23.245 2.580 ( 4.794 -12.034 -2.897) 13.274 3.082 ( 0.690 8.101 3.898) 9.017 3.201 ( -1.851 -1.015 0.935) 2.309 3.767 ( 3.987 6.247 -8.387) 11.192 3.890 ( -0.310 1.361 -5.675) 5.845 4.171 ( 7.053 19.338 -2.575) 20.744 4.238 ( 2.102 14.658 6.056) 15.998 4.533 ( -1.855 -8.635 13.737) 16.331 5.015 ( -4.757 4.119 13.772) 15.141 5.159 ( 3.355 -0.382 -2.662) 4.300 5.259 ( 4.345 -1.434 2.019) 5.002 5.594 ( 4.544 9.723 -1.678) 10.862 5.843 ( -2.228 -5.018 10.911) 12.214 5.944 ( 1.030 -0.152 -0.920) 1.390 6.258 ( 0.477 -26.335 3.717) 26.601 6.600 ( -3.096 4.510 -0.448) 5.489 6.733 ( -2.270 -0.851 3.186) 4.004 7.081 ( 0.560 6.298 -1.049) 6.410 7.205 ( 6.856 10.450 -1.142) 12.550 7.427 ( -0.633 -5.622 -0.055) 5.657 7.510 ( -2.528 0.237 -0.343) 2.562 7.664 ( -2.211 0.844 -0.188) 2.374 7.738 ( 11.083 -7.275 1.007) 13.296 7.807 ( 4.655 1.710 1.493) 5.179 8.239 ( 0.003 -10.655 5.864) 12.162 9.739 ( -5.782 9.537 -11.653) 16.130 9.929 ( -10.874 -0.599 -17.686) 20.770 15.968 ( 3.684 1.583 0.218) 4.015 16.049 ( 3.466 -2.141 0.175) 4.078 17.381 ( -1.133 0.640 -4.070) 4.273 17.413 ( -1.460 -0.960 -2.765) 3.271 22.741 ( -0.553 0.999 -0.991) 1.512 22.758 ( -0.856 0.355 -1.142) 1.471 26.488 ( -1.503 0.136 0.281) 1.535 26.501 ( -1.338 -0.458 0.649) 1.556 34.717 ( 15.789 5.549 -1.300) 16.787 35.005 ( 12.014 -7.465 1.015) 14.181 37.147 ( -4.087 5.545 11.205) 13.153 37.633 ( -6.324 -18.555 22.368) 29.742======================= Grid point 191 (68/125) =======================q-point: ( 0.22 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( 8.538 13.465 11.009) 19.375 2.433 ( 14.698 -2.970 4.607) 15.687 2.564 ( 20.443 -0.616 1.919) 20.542 2.783 ( 14.830 -7.663 -0.949) 16.719 3.168 ( 7.728 3.408 5.713) 10.197 3.197 ( 3.426 -0.190 1.854) 3.900 3.778 ( -2.468 16.561 -4.322) 17.293 3.860 ( -1.892 7.241 -3.191) 8.136 4.255 ( -1.728 1.502 10.452) 10.700 4.334 ( 4.769 -0.430 8.428) 9.693 4.562 ( 7.679 5.534 11.490) 14.886 4.916 ( -4.587 5.038 9.198) 11.447 5.244 ( 4.823 1.005 -3.487) 6.035 5.374 ( 7.318 3.486 1.920) 8.330 5.700 ( 4.783 -1.290 -0.320) 4.964 5.828 ( 1.838 -6.718 6.018) 9.205 5.942 ( -1.331 2.595 -1.709) 3.380 6.277 ( 1.482 -17.997 3.426) 18.380 6.549 ( -1.798 0.512 -2.210) 2.894 6.669 ( -4.007 -1.561 0.550) 4.335 7.124 ( 5.206 6.617 -3.167) 8.995 7.327 ( 4.418 0.220 -0.551) 4.458 7.426 ( -2.564 -0.289 -2.621) 3.678 7.499 ( 1.683 0.797 1.364) 2.308 7.658 ( 4.107 3.354 -0.679) 5.345 7.873 ( 3.384 2.980 2.269) 5.048 7.975 ( 10.176 -5.786 0.931) 11.743 8.234 ( -0.732 -9.983 5.059) 11.216 9.581 ( -9.676 6.713 -10.168) 15.559 9.651 ( -15.993 2.249 -15.030) 22.062 16.062 ( 5.344 1.066 0.540) 5.476 16.134 ( 4.678 -2.381 0.658) 5.290 17.355 ( -1.247 0.706 -4.059) 4.304 17.383 ( -1.449 -0.583 -3.734) 4.048 22.727 ( -0.763 0.915 -0.671) 1.367 22.740 ( -0.937 0.363 -0.377) 1.073 26.454 ( -1.692 0.084 0.404) 1.742 26.468 ( -1.760 -0.525 0.731) 1.977 35.088 ( 19.755 3.754 -4.941) 20.707 35.316 ( 17.700 -6.334 -0.795) 18.816 37.044 ( -5.749 3.750 11.026) 12.988 37.465 ( -10.127 -16.464 20.181) 27.944======================= Grid point 192 (69/125) =======================q-point: ( 0.33 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( 10.265 11.732 8.074) 17.555 2.553 ( 2.184 -4.027 1.418) 4.796 2.891 ( 9.841 4.538 3.080) 11.266 3.054 ( 11.424 -1.867 -1.466) 11.668 3.198 ( 0.436 7.198 5.347) 8.977 3.483 ( 15.894 -4.522 1.526) 16.595 3.704 ( -4.263 21.537 -1.891) 22.036 3.846 ( 0.682 6.431 -1.034) 6.549 4.182 ( -4.217 -5.395 14.282) 15.839 4.321 ( -4.586 -5.513 21.077) 22.264 4.772 ( 9.900 3.763 6.728) 12.548 4.861 ( -0.440 4.323 3.577) 5.628 5.343 ( 5.577 2.903 1.667) 6.505 5.533 ( 8.016 7.027 1.323) 10.742 5.739 ( -1.017 -11.292 1.815) 11.482 5.883 ( -3.790 7.524 -3.655) 9.183 5.946 ( 8.609 -7.124 -0.405) 11.182 6.310 ( 1.334 -9.490 0.706) 9.609 6.509 ( -2.784 -0.606 -3.833) 4.776 6.601 ( -2.335 -4.293 0.130) 4.888 7.300 ( 9.924 6.388 -2.604) 12.087 7.376 ( -0.561 -1.436 -2.898) 3.282 7.402 ( 3.200 0.323 -0.884) 3.335 7.493 ( 0.868 -4.928 0.871) 5.079 7.807 ( 6.203 6.139 -1.246) 8.816 7.932 ( 4.186 4.676 1.946) 6.571 8.129 ( 4.819 -0.940 0.740) 4.965 8.197 ( -3.377 -9.863 3.786) 11.092 9.342 ( -13.679 3.951 -11.718) 18.440 9.377 ( -10.364 3.384 -9.110) 14.208 16.166 ( 4.784 0.479 0.890) 4.889 16.218 ( 3.375 -2.013 1.097) 4.080 17.338 ( -0.451 0.572 -4.462) 4.521 17.359 ( -0.957 -0.375 -4.431) 4.549 22.715 ( -0.480 0.757 -0.217) 0.922 22.723 ( -0.691 0.325 -0.011) 0.763 26.426 ( -1.061 -0.022 0.379) 1.127 26.437 ( -1.346 -0.463 0.688) 1.581 35.453 ( 16.236 3.724 -5.717) 17.611 35.636 ( 12.956 -3.866 -3.314) 13.921 36.947 ( -3.257 0.003 11.469) 11.922 37.253 ( -10.680 -13.872 17.470) 24.733======================= Grid point 193 (70/125) =======================q-point: ( 0.44 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( 9.090 7.771 5.408) 13.125 2.539 ( -3.782 1.492 2.820) 4.948 3.024 ( 4.794 3.391 3.250) 6.711 3.103 ( -3.273 1.142 3.012) 4.592 3.339 ( 11.124 12.812 -0.397) 16.972 3.538 ( -8.081 14.260 -0.932) 16.417 3.770 ( 8.069 2.888 0.250) 8.573 3.857 ( -0.882 3.773 0.024) 3.875 4.134 ( 0.148 -6.289 19.611) 20.595 4.201 ( -6.059 -5.601 23.294) 24.713 4.882 ( 2.221 1.199 1.642) 3.011 4.895 ( 1.801 0.201 2.575) 3.149 5.486 ( 8.667 -1.837 6.274) 10.856 5.651 ( -5.603 -8.479 5.548) 11.579 5.680 ( 4.831 5.598 0.264) 7.399 5.790 ( -5.081 7.204 -2.464) 9.154 6.141 ( 9.508 -3.036 -7.282) 12.355 6.287 ( -4.611 -5.629 -7.021) 10.111 6.486 ( 1.861 -0.869 -0.217) 2.065 6.551 ( -3.334 -5.152 0.463) 6.154 7.331 ( 0.070 0.928 1.274) 1.578 7.357 ( -2.302 0.011 1.411) 2.700 7.581 ( 5.952 -0.726 -2.553) 6.517 7.605 ( 8.116 1.712 -2.726) 8.731 7.856 ( 4.167 -3.158 -0.405) 5.244 8.029 ( -3.827 -2.783 -0.406) 4.749 8.099 ( 0.310 1.747 1.060) 2.067 8.164 ( -1.533 4.580 0.941) 4.920 9.162 ( -3.476 2.894 -9.269) 10.313 9.201 ( -6.473 1.812 -7.889) 10.364 16.240 ( 2.483 -0.271 1.153) 2.751 16.259 ( 0.618 -1.171 1.253) 1.823 17.336 ( 0.197 0.225 -4.792) 4.801 17.344 ( -0.559 -0.123 -4.775) 4.809 22.709 ( -0.038 0.550 0.047) 0.553 22.713 ( -0.360 0.387 0.104) 0.539 26.413 ( -0.231 -0.144 0.402) 0.485 26.417 ( -0.596 -0.303 0.536) 0.857 35.708 ( 8.971 3.235 -5.487) 11.002 35.786 ( 1.666 0.386 -4.823) 5.117 36.941 ( 3.016 -5.701 12.903) 14.425 37.059 ( -8.382 -10.628 14.940) 20.160======================= Grid point 198 (71/125) =======================q-point: ( 0.00 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 0.000 -16.253 13.595) 21.190 1.661 ( 0.000 16.253 13.595) 21.190 2.231 ( 0.000 -16.492 4.712) 17.152 2.231 ( 0.000 16.492 4.712) 17.152 3.198 ( 0.000 -2.701 -0.073) 2.702 3.198 ( 0.000 2.701 -0.073) 2.702 3.779 ( 0.000 -4.981 -9.464) 10.695 3.779 ( 0.000 4.981 -9.464) 10.695 4.341 ( 0.000 -9.013 12.595) 15.488 4.341 ( 0.000 9.013 12.595) 15.488 4.886 ( 0.000 -26.418 -1.119) 26.442 4.886 ( 0.000 26.418 -1.119) 26.442 5.144 ( 0.000 -2.100 -0.701) 2.214 5.144 ( 0.000 2.100 -0.701) 2.214 5.797 ( 0.000 -9.552 -3.805) 10.282 5.797 ( 0.000 9.552 -3.805) 10.282 5.850 ( 0.000 -6.104 16.297) 17.403 5.850 ( 0.000 6.104 16.297) 17.403 6.724 ( 0.000 -2.884 2.071) 3.551 6.724 ( 0.000 2.884 2.071) 3.551 7.291 ( 0.000 -10.401 -0.004) 10.401 7.291 ( 0.000 10.401 -0.004) 10.401 7.348 ( 0.000 -10.858 -0.895) 10.895 7.348 ( 0.000 10.858 -0.895) 10.895 7.607 ( 0.000 -5.155 0.089) 5.156 7.607 ( 0.000 5.155 0.089) 5.156 7.977 ( 0.000 -13.386 4.536) 14.134 7.977 ( 0.000 13.386 4.536) 14.134 9.965 ( 0.000 -5.636 -15.420) 16.418 9.965 ( 0.000 5.636 -15.420) 16.418 15.971 ( 0.000 -2.047 0.040) 2.048 15.971 ( 0.000 2.047 0.040) 2.048 17.409 ( 0.000 -0.847 -3.380) 3.484 17.409 ( 0.000 0.847 -3.380) 3.484 22.764 ( 0.000 -0.566 -1.285) 1.404 22.764 ( 0.000 0.566 -1.285) 1.404 26.509 ( 0.000 -0.249 0.308) 0.396 26.509 ( 0.000 0.249 0.308) 0.396 34.709 ( 0.000 -8.295 1.460) 8.422 34.709 ( 0.000 8.295 1.460) 8.422 37.376 ( 0.000 -12.002 16.246) 20.199 37.376 ( 0.000 12.002 16.246) 20.199======================= Grid point 200 (72/125) =======================q-point: ( 0.11 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 24.374 -11.263 10.350) 28.776 1.962 ( 24.374 11.263 10.350) 28.776 2.279 ( 6.260 -15.601 4.154) 17.315 2.279 ( 6.260 15.601 4.154) 17.315 3.178 ( -1.012 -2.045 0.337) 2.307 3.178 ( -1.012 2.045 0.337) 2.307 3.857 ( 5.958 -3.381 -6.982) 9.781 3.857 ( 5.958 3.381 -6.982) 9.781 4.325 ( -1.505 -7.304 13.636) 15.542 4.325 ( -1.505 7.304 13.636) 15.542 4.871 ( -1.023 -22.557 -1.572) 22.635 4.871 ( -1.023 22.557 -1.572) 22.635 5.193 ( 4.911 -4.035 -1.162) 6.462 5.193 ( 4.911 4.035 -1.162) 6.462 5.737 ( -3.515 -4.137 8.378) 9.984 5.737 ( -3.515 4.137 8.378) 9.984 5.921 ( 4.571 -2.353 3.851) 6.423 5.921 ( 4.571 2.353 3.851) 6.423 6.691 ( -2.970 -3.387 0.507) 4.533 6.691 ( -2.970 3.387 0.507) 4.533 7.230 ( -1.719 -6.884 -0.955) 7.160 7.230 ( -1.719 6.884 -0.955) 7.160 7.467 ( 4.894 -6.704 -0.544) 8.318 7.467 ( 4.894 6.704 -0.544) 8.318 7.627 ( 4.327 -1.319 0.579) 4.560 7.627 ( 4.327 1.319 0.579) 4.560 7.992 ( 1.358 -12.116 4.401) 12.962 7.992 ( 1.358 12.116 4.401) 12.962 9.881 ( -8.137 -4.330 -14.668) 17.324 9.881 ( -8.137 4.330 -14.668) 17.324 16.006 ( 3.351 -1.982 0.191) 3.898 16.006 ( 3.351 1.982 0.191) 3.898 17.396 ( -1.161 -0.756 -3.533) 3.795 17.396 ( -1.161 0.756 -3.533) 3.795 22.757 ( -0.696 -0.459 -1.045) 1.337 22.757 ( -0.696 0.459 -1.045) 1.337 26.493 ( -1.446 -0.315 0.409) 1.536 26.493 ( -1.446 0.315 0.409) 1.536 34.851 ( 13.445 -7.169 0.431) 15.243 34.851 ( 13.445 7.169 0.431) 15.243 37.323 ( -5.107 -11.533 15.771) 20.195 37.323 ( -5.107 11.533 15.771) 20.195======================= Grid point 202 (73/125) =======================q-point: ( 0.22 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.278 ( 7.941 -10.891 5.248) 14.464 2.278 ( 7.941 10.891 5.248) 14.464 2.627 ( 24.204 -6.047 2.812) 25.106 2.627 ( 24.204 6.047 2.812) 25.106 3.198 ( 3.882 -0.241 3.008) 4.917 3.198 ( 3.882 0.241 3.008) 4.917 3.942 ( 1.925 -0.371 -2.303) 3.024 3.942 ( 1.926 0.371 -2.303) 3.024 4.282 ( -3.233 -2.600 14.654) 15.230 4.282 ( -3.233 2.600 14.654) 15.230 4.860 ( 0.040 -12.919 -1.223) 12.976 4.860 ( 0.040 12.919 -1.223) 12.976 5.334 ( 8.447 -8.029 -2.117) 11.845 5.334 ( 8.447 8.029 -2.117) 11.845 5.689 ( -0.616 -5.353 12.221) 13.356 5.689 ( -0.616 5.353 12.221) 13.356 6.008 ( 4.050 -5.311 -0.665) 6.712 6.008 ( 4.050 5.311 -0.665) 6.712 6.621 ( -3.899 -3.446 -2.284) 5.683 6.621 ( -3.899 3.446 -2.284) 5.683 7.249 ( 3.841 -5.462 -3.135) 7.377 7.249 ( 3.841 5.462 -3.135) 7.377 7.465 ( -2.908 -2.728 0.623) 4.035 7.465 ( -2.908 2.728 0.623) 4.035 7.813 ( 11.616 -8.836 0.507) 14.604 7.813 ( 11.616 8.836 0.507) 14.604 8.018 ( 0.887 -9.672 3.938) 10.480 8.018 ( 0.887 9.672 3.938) 10.480 9.664 ( -12.981 -1.407 -12.862) 18.328 9.664 ( -12.981 1.407 -12.862) 18.328 16.091 ( 4.866 -1.764 0.533) 5.204 16.091 ( 4.866 1.764 0.533) 5.204 17.370 ( -1.279 -0.662 -3.944) 4.199 17.370 ( -1.279 0.662 -3.944) 4.199 22.740 ( -0.886 -0.303 -0.546) 1.084 22.740 ( -0.886 0.303 -0.546) 1.084 26.459 ( -1.757 -0.360 0.526) 1.869 26.459 ( -1.757 0.360 0.526) 1.869 35.188 ( 18.922 -5.705 -1.426) 19.814 35.188 ( 18.922 5.705 -1.426) 19.814 37.188 ( -8.055 -10.144 14.592) 19.512 37.188 ( -8.055 10.144 14.592) 19.512======================= Grid point 204 (74/125) =======================q-point: ( 0.33 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( 6.550 -8.586 3.862) 11.469 2.420 ( 6.550 8.586 3.862) 11.469 2.977 ( 9.802 -4.094 0.585) 10.639 2.977 ( 9.802 4.094 0.585) 10.639 3.355 ( 11.225 -7.276 4.604) 14.147 3.355 ( 11.225 7.276 4.604) 14.147 3.952 ( -0.196 -1.798 1.558) 2.387 3.952 ( -0.196 1.798 1.558) 2.387 4.184 ( -6.467 -7.372 14.140) 17.208 4.184 ( -6.467 7.372 14.140) 17.208 4.875 ( 1.458 -3.854 -0.223) 4.126 4.875 ( 1.458 3.854 -0.223) 4.126 5.456 ( 2.800 -9.396 5.834) 11.409 5.456 ( 2.800 9.396 5.834) 11.409 5.744 ( 5.529 -9.599 3.957) 11.763 5.744 ( 5.529 9.599 3.957) 11.763 6.084 ( 3.867 -10.564 -1.558) 11.357 6.084 ( 3.867 10.564 -1.558) 11.357 6.545 ( -3.550 -2.232 -4.013) 5.804 6.545 ( -3.550 2.232 -4.013) 5.804 7.366 ( 3.225 -0.903 -3.851) 5.103 7.366 ( 3.225 0.903 -3.851) 5.103 7.417 ( 3.121 -1.645 0.688) 3.594 7.417 ( 3.121 1.645 0.688) 3.594 7.976 ( -0.236 -9.484 2.047) 9.705 7.976 ( -0.236 9.484 2.047) 9.705 8.059 ( 7.083 -5.248 1.303) 8.912 8.059 ( 7.083 5.248 1.303) 8.912 9.400 ( -12.653 -1.155 -10.849) 16.707 9.400 ( -12.653 1.155 -10.849) 16.707 16.183 ( 4.078 -1.257 0.857) 4.352 16.183 ( 4.078 1.257 0.857) 4.352 17.350 ( -0.723 -0.507 -4.429) 4.516 17.350 ( -0.723 0.507 -4.429) 4.516 22.725 ( -0.635 -0.207 -0.128) 0.680 22.725 ( -0.635 0.207 -0.128) 0.680 26.429 ( -1.203 -0.266 0.505) 1.332 26.429 ( -1.203 0.266 0.505) 1.332 35.543 ( 15.661 -4.752 -2.536) 16.561 35.543 ( 15.661 4.752 -2.536) 16.561 37.026 ( -7.650 -7.612 13.296) 17.125 37.026 ( -7.650 7.612 13.296) 17.125======================= Grid point 206 (75/125) =======================q-point: ( 0.44 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( 2.969 -3.268 3.305) 5.516 2.520 ( 2.970 3.268 3.305) 5.516 3.076 ( 1.813 -2.172 2.133) 3.543 3.076 ( 1.813 2.172 2.133) 3.543 3.556 ( 6.945 -7.045 2.637) 10.239 3.556 ( 6.945 7.045 2.637) 10.239 3.940 ( -1.274 -0.984 1.760) 2.385 3.940 ( -1.274 0.984 1.760) 2.385 4.063 ( -3.938 -4.873 15.495) 16.713 4.063 ( -3.938 4.873 15.495) 16.713 4.906 ( 1.148 -0.544 -0.126) 1.277 4.906 ( 1.148 0.544 -0.126) 1.277 5.477 ( 0.160 -3.839 13.310) 13.853 5.477 ( 0.160 3.839 13.310) 13.853 5.828 ( 2.059 -5.185 -3.232) 6.447 5.828 ( 2.059 5.185 -3.232) 6.447 6.159 ( 2.822 -5.961 -3.858) 7.641 6.159 ( 2.822 5.961 -3.858) 7.641 6.490 ( -1.649 -1.038 -3.878) 4.340 6.490 ( -1.649 1.038 -3.878) 4.340 7.335 ( -1.491 -0.796 2.516) 3.031 7.335 ( -1.491 0.796 2.516) 3.031 7.615 ( 10.492 -2.141 -4.316) 11.545 7.615 ( 10.492 2.141 -4.316) 11.545 7.885 ( -6.821 -6.205 0.932) 9.269 7.885 ( -6.821 6.205 0.932) 9.269 8.186 ( 3.787 -2.328 0.933) 4.542 8.186 ( 3.787 2.328 0.933) 4.542 9.207 ( -5.640 -1.167 -9.411) 11.033 9.207 ( -5.640 1.167 -9.411) 11.033 16.241 ( 1.572 -0.456 1.039) 1.939 16.241 ( 1.572 0.456 1.039) 1.939 17.341 ( -0.201 -0.191 -4.748) 4.756 17.341 ( -0.201 0.191 -4.748) 4.756 22.716 ( -0.220 -0.079 0.078) 0.246 22.716 ( -0.220 0.079 0.078) 0.246 26.413 ( -0.406 -0.094 0.438) 0.605 26.413 ( -0.406 0.094 0.438) 0.605 35.768 ( 6.193 -2.133 -2.868) 7.151 35.768 ( 6.193 2.133 -2.868) 7.151 36.910 ( -3.365 -3.074 12.515) 13.319 36.910 ( -3.365 3.074 12.515) 13.319======================= Grid point 243 (76/125) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 0.000 0.000 16.335) 16.335 1.417 ( 0.000 0.000 21.032) 21.032 2.475 ( 0.000 0.000 -6.531) 6.531 2.633 ( 0.000 0.000 -7.780) 7.780 3.024 ( 0.000 0.000 24.374) 24.374 3.029 ( 0.000 0.000 -9.789) 9.789 3.342 ( 0.000 0.000 -17.339) 17.339 3.362 ( 0.000 0.000 -14.561) 14.561 3.672 ( 0.000 0.000 4.529) 4.529 3.676 ( 0.000 0.000 2.463) 2.463 4.954 ( 0.000 0.000 0.528) 0.528 5.101 ( 0.000 0.000 -4.503) 4.503 5.279 ( 0.000 0.000 27.174) 27.174 5.455 ( 0.000 0.000 6.472) 6.472 5.612 ( 0.000 0.000 -3.097) 3.097 5.667 ( 0.000 0.000 1.012) 1.012 6.195 ( 0.000 0.000 -5.118) 5.118 6.437 ( 0.000 0.000 0.471) 0.471 6.492 ( 0.000 0.000 37.002) 37.002 6.803 ( 0.000 0.000 5.525) 5.525 6.836 ( 0.000 0.000 3.385) 3.385 7.081 ( 0.000 0.000 -18.149) 18.149 7.663 ( 0.000 0.000 1.210) 1.210 7.690 ( 0.000 0.000 -0.567) 0.567 7.995 ( 0.000 0.000 -0.180) 0.180 8.013 ( 0.000 0.000 0.066) 0.066 8.080 ( 0.000 0.000 -4.369) 4.369 8.380 ( 0.000 0.000 1.926) 1.926 8.662 ( 0.000 0.000 -6.253) 6.253 9.742 ( 0.000 0.000 -18.680) 18.680 15.866 ( 0.000 0.000 0.108) 0.108 16.078 ( 0.000 0.000 -0.158) 0.158 17.265 ( 0.000 0.000 -4.859) 4.859 17.540 ( 0.000 0.000 -0.159) 0.159 22.653 ( 0.000 0.000 0.015) 0.015 22.724 ( 0.000 0.000 0.167) 0.167 26.489 ( 0.000 0.000 -0.684) 0.684 26.604 ( 0.000 0.000 1.666) 1.666 34.329 ( 0.000 0.000 1.364) 1.364 35.201 ( 0.000 0.000 1.163) 1.163 37.255 ( 0.000 0.000 5.887) 5.887 39.360 ( 0.000 0.000 0.367) 0.367======================= Grid point 244 (77/125) =======================q-point: ( 0.11 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 1.312 0.000 15.677) 15.732 1.873 ( 37.674 0.000 10.959) 39.236 2.459 ( -1.632 0.000 -6.497) 6.699 2.624 ( -0.978 0.000 -7.536) 7.599 3.003 ( 2.120 0.000 10.472) 10.685 3.101 ( -17.625 0.000 -9.461) 20.004 3.207 ( 13.019 0.000 2.250) 13.212 3.482 ( 8.368 0.000 -10.069) 13.092 3.774 ( 14.008 0.000 2.938) 14.313 3.934 ( 17.772 0.000 -0.158) 17.772 4.996 ( 2.166 0.000 -0.527) 2.229 5.111 ( 2.021 0.000 -2.896) 3.532 5.255 ( -2.108 0.000 25.418) 25.505 5.394 ( -4.813 0.000 4.972) 6.920 5.642 ( 1.779 0.000 -1.952) 2.641 5.767 ( 10.431 0.000 2.067) 10.634 6.088 ( -7.691 0.000 -5.600) 9.513 6.366 ( -11.265 0.000 34.047) 35.862 6.556 ( 8.480 0.000 1.397) 8.595 6.840 ( 1.990 0.000 2.852) 3.478 6.855 ( 3.824 0.000 5.279) 6.518 7.104 ( 2.179 0.000 -17.526) 17.661 7.515 ( -12.300 0.000 -0.695) 12.320 7.700 ( 1.094 0.000 -0.513) 1.208 7.902 ( -3.625 0.000 -0.586) 3.672 7.996 ( -1.743 0.000 0.113) 1.747 8.308 ( 13.270 0.000 -0.428) 13.277 8.357 ( -2.267 0.000 1.918) 2.970 8.703 ( 4.310 0.000 -7.595) 8.733 9.609 ( -12.645 0.000 -16.841) 21.060 15.923 ( 5.250 0.000 -0.076) 5.251 16.132 ( 5.061 0.000 -0.749) 5.117 17.258 ( -0.696 0.000 -4.657) 4.708 17.487 ( -4.714 0.000 0.330) 4.726 22.655 ( 0.145 0.000 0.014) 0.146 22.721 ( -0.287 0.000 0.163) 0.331 26.476 ( -1.215 0.000 -0.623) 1.365 26.587 ( -1.580 0.000 1.565) 2.224 34.472 ( 13.204 0.000 -2.085) 13.367 35.282 ( 7.384 0.000 -0.175) 7.386 37.253 ( 0.072 0.000 6.411) 6.412 39.196 ( -15.496 0.000 3.497) 15.886======================= Grid point 245 (78/125) =======================q-point: ( 0.22 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 4.735 0.000 13.166) 13.991 2.408 ( -4.025 0.000 -7.196) 8.245 2.593 ( -2.319 0.000 -6.562) 6.960 2.624 ( 33.551 0.000 2.189) 33.623 2.763 ( -15.299 0.000 -7.215) 16.915 3.114 ( 9.414 0.000 6.810) 11.619 3.497 ( 13.759 0.000 -1.139) 13.806 3.563 ( 3.046 0.000 2.821) 4.152 4.247 ( 28.395 0.000 7.324) 29.325 4.285 ( 17.157 0.000 -0.527) 17.165 4.986 ( -2.400 0.000 -4.608) 5.196 5.182 ( 2.551 0.000 23.462) 23.600 5.228 ( 1.856 0.000 5.857) 6.144 5.295 ( -4.952 0.000 3.533) 6.083 5.657 ( -0.292 0.000 -1.753) 1.777 5.937 ( -7.294 0.000 -6.560) 9.810 6.044 ( 4.345 0.000 8.778) 9.794 6.153 ( 3.576 0.000 18.017) 18.369 6.703 ( 5.906 0.000 3.514) 6.872 6.867 ( 1.362 0.000 3.478) 3.735 7.008 ( 10.548 0.000 2.884) 10.935 7.118 ( -5.199 0.000 -12.614) 13.643 7.304 ( -3.678 0.000 -9.744) 10.415 7.737 ( 2.730 0.000 -0.326) 2.749 7.805 ( -6.609 0.000 3.993) 7.721 7.942 ( -3.814 0.000 0.251) 3.822 8.292 ( -4.301 0.000 1.858) 4.685 8.520 ( 7.631 0.000 1.944) 7.874 8.819 ( 6.321 0.000 -7.781) 10.025 9.288 ( -18.331 0.000 -15.075) 23.733 16.052 ( 7.222 0.000 0.415) 7.234 16.249 ( 5.822 0.000 -1.465) 6.004 17.243 ( -0.639 0.000 -4.024) 4.074 17.384 ( -5.067 0.000 -0.038) 5.067 22.659 ( 0.295 0.000 0.016) 0.295 22.713 ( -0.510 0.000 0.151) 0.532 26.449 ( -1.278 0.000 -0.484) 1.367 26.546 ( -2.451 0.000 1.293) 2.771 34.787 ( 17.070 0.000 -6.848) 18.393 35.444 ( 7.564 0.000 -3.571) 8.364 37.281 ( 3.403 0.000 7.919) 8.620 38.806 ( -22.225 0.000 8.585) 23.826======================= Grid point 246 (79/125) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 9.845 0.000 8.363) 12.918 2.242 ( -13.525 0.000 -7.872) 15.649 2.518 ( -3.504 0.000 -3.376) 4.866 2.580 ( -3.609 0.000 -6.390) 7.339 3.104 ( 15.534 0.000 8.819) 17.862 3.392 ( 17.050 0.000 -4.495) 17.633 3.554 ( -0.715 0.000 1.902) 2.032 3.776 ( 9.591 0.000 3.897) 10.352 4.604 ( 14.830 0.000 -0.145) 14.830 4.708 ( 14.409 0.000 13.418) 19.689 4.931 ( -2.634 0.000 -2.651) 3.738 5.195 ( -5.415 0.000 2.061) 5.794 5.208 ( 2.353 0.000 24.982) 25.093 5.383 ( 11.610 0.000 15.411) 19.295 5.641 ( -0.858 0.000 -2.469) 2.614 5.803 ( -6.122 0.000 -6.720) 9.091 5.880 ( -4.957 0.000 6.961) 8.546 6.556 ( 21.782 0.000 -0.605) 21.790 6.797 ( 3.775 0.000 4.177) 5.630 6.883 ( -14.773 0.000 -10.868) 18.340 6.889 ( 0.707 0.000 4.032) 4.094 7.242 ( 12.357 0.000 1.634) 12.465 7.365 ( 2.696 0.000 -6.366) 6.913 7.683 ( -1.453 0.000 -1.214) 1.894 7.803 ( 1.954 0.000 0.045) 1.954 7.850 ( -3.460 0.000 0.488) 3.494 8.190 ( -5.876 0.000 1.667) 6.108 8.585 ( -3.660 0.000 2.126) 4.233 8.901 ( -0.630 0.000 0.061) 0.633 8.962 ( -9.144 0.000 -19.008) 21.093 16.193 ( 6.620 0.000 1.205) 6.729 16.337 ( 2.790 0.000 -0.801) 2.903 17.236 ( -0.003 0.000 -3.343) 3.343 17.303 ( -2.968 0.000 -1.958) 3.556 22.666 ( 0.443 0.000 0.029) 0.444 22.701 ( -0.629 0.000 0.126) 0.642 26.431 ( -0.482 0.000 -0.215) 0.528 26.496 ( -2.405 0.000 0.936) 2.580 35.108 ( 14.679 0.000 -8.874) 17.152 35.539 ( 1.513 0.000 -6.817) 6.983 37.405 ( 9.220 0.000 9.802) 13.457 38.363 ( -21.678 0.000 11.282) 24.438======================= Grid point 247 (80/125) =======================q-point: ( 0.44 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 14.239 0.000 2.324) 14.427 1.933 ( -16.282 0.000 -3.468) 16.647 2.497 ( 0.630 0.000 -4.129) 4.176 2.527 ( -2.166 0.000 -5.333) 5.756 3.341 ( 9.548 0.000 8.266) 12.628 3.487 ( -4.948 0.000 4.131) 6.446 3.705 ( 11.866 0.000 -1.806) 12.003 3.851 ( -2.211 0.000 2.148) 3.083 4.847 ( 2.790 0.000 14.711) 14.974 4.868 ( 11.686 0.000 0.355) 11.691 4.888 ( -1.858 0.000 6.515) 6.775 5.065 ( -8.100 0.000 0.990) 8.161 5.293 ( 6.275 0.000 17.295) 18.399 5.434 ( -6.296 0.000 20.953) 21.879 5.642 ( 1.382 0.000 -4.062) 4.291 5.699 ( -4.224 0.000 -5.793) 7.169 6.090 ( 22.447 0.000 -5.803) 23.185 6.530 ( -19.826 0.000 -9.021) 21.782 6.857 ( 2.356 0.000 4.244) 4.854 6.889 ( -0.810 0.000 4.246) 4.323 6.945 ( 16.104 0.000 -0.156) 16.105 7.233 ( -12.745 0.000 3.922) 13.335 7.480 ( 11.306 0.000 1.073) 11.357 7.682 ( -8.972 0.000 0.683) 8.998 7.900 ( 19.299 0.000 -11.514) 22.473 7.932 ( 6.345 0.000 0.716) 6.385 8.064 ( -6.704 0.000 1.274) 6.824 8.311 ( -20.167 0.000 -7.777) 21.615 8.877 ( 2.078 0.000 -2.871) 3.544 8.924 ( -1.797 0.000 -5.031) 5.342 16.302 ( 4.245 0.000 1.306) 4.441 16.355 ( -0.962 0.000 0.505) 1.086 17.243 ( 0.634 0.000 -3.294) 3.355 17.262 ( -1.358 0.000 -3.248) 3.521 22.676 ( 0.569 0.000 0.055) 0.572 22.688 ( -0.642 0.000 0.091) 0.648 26.432 ( 0.614 0.000 0.164) 0.635 26.455 ( -1.673 0.000 0.557) 1.764 35.355 ( 10.072 0.000 -9.203) 13.644 35.504 ( -4.836 0.000 -8.588) 9.856 37.640 ( 14.270 0.000 11.188) 18.133 37.964 ( -18.292 0.000 11.796) 21.765======================= Grid point 252 (81/125) =======================q-point: ( 0.00 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( 0.000 2.722 20.255) 20.437 1.532 ( 0.000 26.962 17.349) 32.062 2.507 ( 0.000 2.819 -6.603) 7.179 2.753 ( 0.000 11.993 -9.543) 15.326 2.875 ( 0.000 -12.723 -2.955) 13.061 2.985 ( 0.000 -1.396 15.898) 15.959 3.342 ( 0.000 0.386 -16.911) 16.916 3.483 ( 0.000 4.078 -3.714) 5.516 3.639 ( 0.000 2.387 -2.736) 3.630 3.742 ( 0.000 4.264 -1.444) 4.502 5.008 ( 0.000 5.178 -0.047) 5.178 5.093 ( 0.000 -0.561 -3.830) 3.871 5.224 ( 0.000 -5.255 21.040) 21.686 5.500 ( 0.000 2.645 13.196) 13.459 5.538 ( 0.000 -5.799 1.755) 6.059 5.713 ( 0.000 3.841 -3.760) 5.375 6.250 ( 0.000 5.193 -2.730) 5.866 6.415 ( 0.000 -4.539 32.621) 32.935 6.549 ( 0.000 9.667 0.432) 9.676 6.810 ( 0.000 -2.027 -0.437) 2.074 6.839 ( 0.000 2.323 5.963) 6.400 7.165 ( 0.000 7.574 -13.323) 15.325 7.626 ( 0.000 -2.862 0.630) 2.930 7.678 ( 0.000 -1.649 -0.015) 1.650 7.701 ( 0.000 -22.241 -3.517) 22.517 7.961 ( 0.000 -3.206 -0.190) 3.212 8.108 ( 0.000 -9.352 6.240) 11.243 8.335 ( 0.000 8.047 -0.185) 8.050 8.937 ( 0.000 16.437 -11.572) 20.102 9.716 ( 0.000 -1.920 -17.803) 17.906 15.874 ( 0.000 0.756 0.102) 0.763 16.069 ( 0.000 -0.776 -0.141) 0.788 17.271 ( 0.000 0.578 -4.683) 4.719 17.512 ( 0.000 -2.447 -0.049) 2.448 22.667 ( 0.000 1.200 -0.394) 1.264 22.729 ( 0.000 0.454 0.051) 0.457 26.492 ( 0.000 0.216 -0.567) 0.607 26.589 ( 0.000 -1.277 1.749) 2.165 34.358 ( 0.000 2.794 1.358) 3.106 35.164 ( 0.000 -3.522 1.176) 3.713 37.253 ( 0.000 0.104 6.247) 6.248 39.124 ( 0.000 -20.753 5.994) 21.602======================= Grid point 253 (82/125) =======================q-point: ( 0.11 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 0.914 25.310 17.135) 30.578 1.887 ( 35.258 1.770 10.366) 36.793 2.487 ( -1.480 2.429 -6.195) 6.817 2.729 ( -1.982 10.221 -8.796) 13.630 2.942 ( 4.186 -7.129 0.908) 8.318 3.012 ( 0.192 -2.036 6.390) 6.709 3.345 ( -0.310 5.827 -3.823) 6.977 3.464 ( 2.386 1.791 -8.064) 8.598 3.742 ( 17.995 -2.107 1.168) 18.155 4.006 ( 17.110 5.565 -2.431) 18.156 5.031 ( 0.755 3.256 -1.592) 3.702 5.099 ( 1.156 -1.019 1.020) 1.848 5.195 ( -2.110 -4.742 15.256) 16.115 5.455 ( -3.665 3.912 13.525) 14.548 5.614 ( 5.980 -5.156 0.992) 7.958 5.736 ( 2.818 0.871 -1.570) 3.341 6.170 ( -5.174 6.549 -2.846) 8.818 6.319 ( -8.657 -2.376 29.845) 31.165 6.655 ( 7.390 8.565 1.887) 11.469 6.823 ( 1.418 -1.883 -0.302) 2.376 6.888 ( 5.512 2.962 4.684) 7.816 7.173 ( 0.594 6.345 -13.106) 14.573 7.413 ( -13.377 -10.734 -2.654) 17.355 7.669 ( 1.645 -2.851 -0.614) 3.348 7.804 ( 0.778 -7.651 0.188) 7.693 8.019 ( 3.069 -1.811 2.511) 4.359 8.101 ( 0.020 -11.792 3.614) 12.333 8.384 ( 5.093 4.609 0.066) 6.869 8.943 ( 0.758 14.633 -12.048) 18.970 9.590 ( -11.959 -1.172 -15.801) 19.851 15.928 ( 5.023 0.502 -0.022) 5.048 16.120 ( 4.756 -1.079 -0.585) 4.911 17.263 ( -0.731 0.543 -4.506) 4.597 17.466 ( -4.164 -1.903 0.215) 4.583 22.667 ( 0.034 1.104 -0.307) 1.146 22.726 ( -0.313 0.428 0.073) 0.535 26.478 ( -1.251 0.185 -0.509) 1.363 26.573 ( -1.487 -1.204 1.639) 2.519 34.499 ( 13.078 2.613 -1.752) 13.451 35.251 ( 8.057 -2.944 0.035) 8.578 37.244 ( -0.621 -0.525 6.674) 6.723 38.983 ( -13.465 -18.909 7.806) 24.490======================= Grid point 254 (83/125) =======================q-point: ( 0.22 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 3.622 25.079 14.515) 29.203 2.452 ( -0.393 3.922 -6.251) 7.390 2.568 ( 23.191 -2.885 0.079) 23.370 2.672 ( -4.068 8.178 -7.764) 11.988 2.888 ( -3.443 7.964 -2.505) 9.031 3.093 ( 10.191 -0.832 3.660) 10.860 3.497 ( 2.760 -2.109 -3.241) 4.751 3.517 ( 12.309 -1.081 4.651) 13.202 4.242 ( 27.863 0.150 6.665) 28.649 4.344 ( 16.485 4.471 -0.377) 17.085 5.003 ( -2.973 1.115 -4.101) 5.186 5.110 ( -0.646 -4.922 19.967) 20.575 5.206 ( 3.985 -1.130 -0.499) 4.172 5.377 ( -3.703 4.853 13.876) 15.160 5.664 ( -1.015 -0.471 -2.542) 2.778 5.825 ( 1.387 -5.616 -1.770) 6.050 6.118 ( -10.342 2.439 18.675) 21.486 6.181 ( 10.356 4.690 2.284) 11.596 6.771 ( 4.358 5.360 4.719) 8.366 6.866 ( 2.539 -0.376 0.155) 2.571 7.059 ( 5.396 2.716 1.489) 6.222 7.103 ( -4.917 -1.553 -6.351) 8.181 7.261 ( 1.610 -1.857 -12.480) 12.720 7.712 ( 1.160 -2.716 0.822) 3.066 7.751 ( -3.929 -4.845 4.168) 7.502 8.007 ( -3.087 4.666 1.210) 5.724 8.110 ( -0.485 -11.989 2.076) 12.177 8.509 ( 5.922 -1.252 1.577) 6.255 8.966 ( 1.332 9.423 -12.651) 15.831 9.287 ( -17.312 0.731 -12.342) 21.274 16.052 ( 7.002 0.081 0.419) 7.015 16.231 ( 5.632 -1.580 -1.133) 5.958 17.248 ( -0.709 0.442 -3.947) 4.035 17.373 ( -4.562 -0.918 -0.342) 4.666 22.669 ( 0.161 0.892 -0.147) 0.919 22.717 ( -0.529 0.386 0.106) 0.663 26.450 ( -1.344 0.090 -0.389) 1.403 26.534 ( -2.301 -1.004 1.346) 2.849 34.814 ( 17.176 2.583 -6.149) 18.425 35.434 ( 8.854 -1.101 -3.007) 9.415 37.252 ( 2.142 -2.396 7.972) 8.595 38.639 ( -19.917 -15.098 10.718) 27.193======================= Grid point 255 (84/125) =======================q-point: ( 0.33 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 8.154 23.613 10.067) 26.934 2.389 ( -8.197 13.469 -8.048) 17.703 2.540 ( -4.308 2.044 -2.831) 5.545 2.655 ( -3.357 7.029 -6.341) 10.044 3.101 ( 13.261 -0.062 8.422) 15.709 3.378 ( 15.400 -1.218 -5.540) 16.411 3.521 ( 1.645 -2.384 2.516) 3.836 3.767 ( 9.521 -0.791 3.103) 10.045 4.637 ( 13.242 2.576 1.150) 13.539 4.687 ( 13.222 -2.364 13.565) 19.090 4.949 ( -1.659 1.908 -1.170) 2.786 5.102 ( -0.333 -4.874 12.232) 13.171 5.270 ( -1.339 -0.346 12.960) 13.034 5.400 ( 8.307 4.101 13.749) 16.579 5.631 ( 0.784 -1.542 -3.724) 4.106 5.779 ( -2.999 -0.252 -5.855) 6.583 5.942 ( -6.157 4.663 6.368) 10.010 6.507 ( 17.295 -3.666 1.530) 17.745 6.789 ( -11.837 -7.313 -6.615) 15.406 6.851 ( 1.956 3.278 3.044) 4.882 6.952 ( 1.781 5.113 1.726) 5.683 7.325 ( 12.293 6.381 -0.023) 13.850 7.350 ( 3.735 -0.801 -6.052) 7.157 7.622 ( -1.376 -5.182 1.136) 5.480 7.798 ( 4.204 -2.148 -0.896) 4.805 7.918 ( -5.780 6.971 0.066) 9.056 8.070 ( -3.341 -8.952 1.768) 9.717 8.548 ( -4.749 -3.793 1.109) 6.178 8.955 ( -6.934 -0.246 -18.684) 19.931 9.000 ( -4.421 7.478 -1.138) 8.761 16.189 ( 6.403 -0.321 1.117) 6.508 16.320 ( 2.924 -1.617 -0.592) 3.394 17.239 ( -0.099 0.281 -3.353) 3.366 17.300 ( -2.742 -0.278 -2.129) 3.483 22.674 ( 0.337 0.683 -0.027) 0.762 22.705 ( -0.621 0.377 0.114) 0.736 26.430 ( -0.566 -0.047 -0.163) 0.591 26.488 ( -2.238 -0.730 0.963) 2.544 35.138 ( 14.895 2.921 -8.057) 17.184 35.554 ( 2.632 1.325 -6.063) 6.741 37.350 ( 7.965 -4.920 9.726) 13.500 38.236 ( -19.959 -11.622 12.065) 26.058======================= Grid point 256 (85/125) =======================q-point: ( 0.44 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 12.183 21.384 4.218) 24.970 2.146 ( -13.836 18.553 -2.064) 23.235 2.535 ( 1.926 3.940 -4.596) 6.353 2.588 ( -3.185 6.249 -5.815) 9.111 3.317 ( 8.878 -2.072 7.405) 11.745 3.448 ( -3.944 -3.527 3.572) 6.384 3.705 ( 11.185 0.200 -1.730) 11.319 3.843 ( -2.010 -0.670 1.506) 2.599 4.815 ( 3.042 -3.388 16.271) 16.896 4.833 ( 4.174 -1.807 6.666) 8.069 4.949 ( 3.139 3.653 5.459) 7.280 5.060 ( -4.871 -1.464 3.877) 6.395 5.280 ( 4.156 -0.912 9.473) 10.384 5.397 ( -5.966 -0.488 7.727) 9.774 5.712 ( 1.313 5.188 3.051) 6.160 5.749 ( -2.177 3.959 -2.388) 5.110 6.054 ( 19.768 -2.728 -5.782) 20.776 6.459 ( -18.409 -6.239 -7.771) 20.933 6.793 ( 8.437 -5.959 4.756) 11.371 6.877 ( -0.847 -0.982 5.941) 6.081 7.035 ( 7.362 7.359 0.039) 10.410 7.233 ( -10.934 1.330 3.360) 11.515 7.566 ( 11.293 6.772 0.332) 13.172 7.762 ( -7.103 4.093 -0.243) 8.202 7.848 ( 15.028 -2.272 -5.728) 16.242 7.901 ( 7.124 -2.866 -4.097) 8.704 7.990 ( -3.976 -5.477 0.785) 6.813 8.275 ( -19.707 -3.423 -7.661) 21.419 8.902 ( 1.805 1.716 -5.149) 5.720 8.956 ( -2.688 2.910 -4.029) 5.651 16.294 ( 4.001 -0.741 1.208) 4.244 16.342 ( -0.694 -1.218 0.509) 1.491 17.244 ( 0.551 0.109 -3.324) 3.371 17.261 ( -1.278 -0.033 -3.288) 3.528 22.682 ( 0.497 0.524 0.047) 0.724 22.693 ( -0.603 0.422 0.093) 0.741 26.429 ( 0.503 -0.223 0.180) 0.579 26.450 ( -1.527 -0.453 0.566) 1.691 35.389 ( 10.118 3.200 -8.358) 13.508 35.534 ( -4.403 2.851 -7.762) 9.368 37.563 ( 13.241 -7.104 11.139) 18.704 37.866 ( -17.103 -9.093 11.975) 22.773======================= Grid point 261 (86/125) =======================q-point: ( 0.00 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 0.000 6.080 18.431) 19.408 1.996 ( 0.000 14.754 20.416) 25.189 2.562 ( 0.000 1.159 -5.092) 5.223 2.570 ( 0.000 -15.721 5.100) 16.528 2.995 ( 0.000 3.010 2.117) 3.680 3.202 ( 0.000 28.737 -12.135) 31.194 3.368 ( 0.000 2.346 -15.265) 15.444 3.391 ( 0.000 -4.275 7.124) 8.308 3.778 ( 0.000 -1.269 -7.155) 7.266 3.904 ( 0.000 16.829 -5.408) 17.677 5.056 ( 0.000 -10.704 14.357) 17.909 5.079 ( 0.000 -0.011 -2.974) 2.974 5.157 ( 0.000 6.900 -1.552) 7.073 5.431 ( 0.000 -2.535 3.184) 4.070 5.518 ( 0.000 -1.095 20.050) 20.080 5.797 ( 0.000 3.488 -4.899) 6.014 6.328 ( 0.000 -1.901 25.303) 25.374 6.424 ( 0.000 7.476 -0.724) 7.511 6.744 ( 0.000 -5.649 -0.371) 5.661 6.790 ( 0.000 12.717 0.277) 12.720 6.891 ( 0.000 2.227 6.695) 7.056 7.206 ( 0.000 -19.659 -2.606) 19.831 7.377 ( 0.000 11.980 -8.791) 14.859 7.566 ( 0.000 -2.433 0.427) 2.470 7.613 ( 0.000 -4.715 0.130) 4.716 7.866 ( 0.000 -5.713 -0.194) 5.716 7.896 ( 0.000 -10.870 9.370) 14.351 8.436 ( 0.000 -1.015 0.258) 1.048 9.251 ( 0.000 13.664 -17.834) 22.467 9.693 ( 0.000 0.016 -15.068) 15.068 15.897 ( 0.000 1.401 0.085) 1.403 16.046 ( 0.000 -1.428 -0.096) 1.431 17.289 ( 0.000 1.057 -4.185) 4.317 17.452 ( 0.000 -3.035 -0.343) 3.054 22.696 ( 0.000 1.489 -0.909) 1.744 22.740 ( 0.000 0.533 -0.277) 0.600 26.498 ( 0.000 0.389 -0.251) 0.463 26.559 ( 0.000 -1.395 1.624) 2.141 34.443 ( 0.000 5.319 1.342) 5.486 35.060 ( 0.000 -6.349 1.209) 6.463 37.280 ( 0.000 3.070 7.297) 7.917 38.605 ( 0.000 -26.850 13.157) 29.900======================= Grid point 262 (87/125) =======================q-point: ( 0.11 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 24.995 6.484 14.531) 29.630 2.022 ( 7.164 11.989 15.360) 20.760 2.521 ( -0.257 -0.903 -2.343) 2.524 2.725 ( 9.595 -9.909 0.900) 13.823 3.026 ( 3.294 3.331 0.994) 4.789 3.129 ( -4.516 23.143 -4.523) 24.009 3.312 ( 2.534 -2.670 -7.029) 7.934 3.647 ( -6.242 9.550 -6.519) 13.140 3.746 ( 23.991 4.534 -1.215) 24.446 4.127 ( 15.174 6.431 -3.226) 16.793 5.005 ( -3.786 -8.725 12.804) 15.950 5.086 ( 0.027 0.188 -1.810) 1.820 5.169 ( 0.877 3.551 -2.015) 4.176 5.445 ( -1.102 -4.513 8.717) 9.877 5.554 ( 5.668 1.531 13.947) 15.133 5.791 ( -0.630 3.018 -4.363) 5.342 6.267 ( -5.492 -0.532 22.154) 22.831 6.359 ( -4.524 7.546 -0.141) 8.800 6.755 ( 1.302 -5.640 -0.208) 5.792 6.849 ( 2.534 5.987 4.275) 7.781 6.980 ( 10.103 7.086 2.266) 12.547 7.084 ( -9.947 -14.888 -3.308) 18.208 7.348 ( -2.131 9.528 -8.382) 12.868 7.603 ( 2.920 -2.946 1.021) 4.272 7.641 ( 0.308 -6.822 2.841) 7.396 7.883 ( 1.385 -7.171 0.157) 7.305 7.957 ( 5.972 -6.642 5.576) 10.530 8.437 ( 0.196 -1.924 0.311) 1.958 9.218 ( -3.226 11.861 -18.631) 22.321 9.590 ( -9.764 1.314 -12.660) 16.042 15.944 ( 4.467 1.050 0.068) 4.589 16.090 ( 4.112 -1.776 -0.277) 4.487 17.279 ( -0.843 0.980 -4.078) 4.278 17.419 ( -3.035 -2.420 -0.396) 3.902 22.695 ( -0.144 1.417 -0.740) 1.605 22.736 ( -0.363 0.509 -0.188) 0.652 26.483 ( -1.330 0.355 -0.201) 1.391 26.545 ( -1.360 -1.362 1.539) 2.465 34.579 ( 12.776 5.059 -0.945) 13.774 35.161 ( 9.594 -5.603 0.501) 11.122 37.254 ( -2.345 2.160 7.499) 8.148 38.503 ( -9.903 -25.199 13.369) 30.196======================= Grid point 263 (88/125) =======================q-point: ( 0.22 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( 3.764 16.482 16.582) 23.681 2.523 ( 23.022 -0.519 0.598) 23.035 2.537 ( 2.016 2.350 -3.485) 4.662 2.886 ( 5.841 -0.403 -0.848) 5.916 3.035 ( -2.477 18.833 -5.140) 19.678 3.168 ( 9.599 6.286 0.979) 11.515 3.409 ( 4.402 -2.798 0.310) 5.226 3.596 ( 3.512 7.393 -3.514) 8.907 4.263 ( 24.881 2.105 5.165) 25.498 4.432 ( 14.611 3.368 1.375) 15.057 4.936 ( -2.217 -7.151 12.673) 14.719 5.083 ( -0.279 1.849 -2.149) 2.848 5.190 ( 1.249 -1.265 2.061) 2.722 5.401 ( -1.322 -2.336 8.543) 8.955 5.679 ( 2.838 4.416 2.145) 5.670 5.786 ( 1.257 0.654 0.747) 1.602 6.144 ( -6.331 -0.072 17.086) 18.221 6.313 ( 1.671 6.655 -0.845) 6.913 6.785 ( -1.250 -3.606 2.561) 4.596 6.851 ( -4.948 -16.592 -1.414) 17.372 6.944 ( 3.052 6.869 -0.644) 7.544 7.227 ( 13.019 8.638 1.115) 15.664 7.310 ( -1.184 5.188 -8.359) 9.909 7.595 ( -3.857 -6.951 6.932) 10.547 7.666 ( 2.873 -2.979 -0.106) 4.140 7.910 ( 1.055 -6.101 -0.066) 6.192 8.069 ( 3.571 -0.325 1.895) 4.056 8.448 ( 0.810 -5.430 0.679) 5.532 9.124 ( -6.372 6.569 -20.838) 22.759 9.350 ( -12.809 4.670 -6.758) 15.216 16.057 ( 6.417 0.393 0.403) 6.442 16.189 ( 5.234 -2.345 -0.498) 5.757 17.261 ( -0.913 0.777 -3.728) 3.916 17.350 ( -3.476 -1.255 -1.130) 3.865 22.692 ( -0.095 1.223 -0.399) 1.290 22.727 ( -0.559 0.475 -0.032) 0.734 26.453 ( -1.506 0.229 -0.124) 1.528 26.510 ( -2.038 -1.220 1.287) 2.702 34.893 ( 17.454 5.019 -4.365) 18.678 35.393 ( 12.153 -3.031 -1.643) 12.633 37.210 ( -1.350 -0.789 8.243) 8.390 38.242 ( -15.481 -21.463 13.472) 29.696======================= Grid point 264 (89/125) =======================q-point: ( 0.33 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 7.366 17.107 11.915) 22.111 2.568 ( 0.602 1.501 -2.325) 2.832 2.752 ( 1.772 13.043 -3.274) 13.564 2.890 ( -3.648 19.618 -6.530) 20.995 3.106 ( 8.547 0.332 4.347) 9.594 3.374 ( 4.455 3.062 -1.559) 5.626 3.496 ( 10.276 0.491 0.383) 10.295 3.752 ( 8.064 -0.081 0.827) 8.106 4.594 ( 7.957 -6.713 12.946) 16.612 4.679 ( 9.308 0.761 4.858) 10.527 4.966 ( 4.621 -3.039 8.873) 10.455 5.049 ( -3.914 1.204 8.063) 9.043 5.201 ( 0.833 -3.509 2.109) 4.178 5.510 ( 12.777 2.676 2.098) 13.221 5.635 ( -4.503 4.807 -6.234) 9.069 5.815 ( 0.528 3.669 5.649) 6.757 6.029 ( -4.824 2.354 5.797) 7.900 6.434 ( 7.527 -3.254 1.855) 8.407 6.608 ( -9.871 -8.369 -2.450) 13.171 6.846 ( -0.075 -5.085 6.344) 8.131 7.105 ( 9.111 8.397 -0.324) 12.394 7.315 ( 3.705 -1.269 -7.172) 8.172 7.449 ( 4.757 0.681 3.986) 6.244 7.550 ( 4.314 2.123 0.733) 4.863 7.719 ( 2.724 -4.510 -0.933) 5.351 7.919 ( -0.155 -3.534 -0.697) 3.605 8.075 ( -2.513 6.118 0.058) 6.614 8.423 ( -5.644 -8.122 -0.835) 9.926 8.973 ( -6.808 2.488 -17.082) 18.556 9.144 ( -7.632 5.526 -4.122) 10.285 16.182 ( 5.824 -0.276 0.895) 5.899 16.277 ( 3.258 -2.331 -0.175) 4.009 17.247 ( -0.361 0.488 -3.370) 3.424 17.292 ( -2.222 -0.438 -2.532) 3.397 22.692 ( 0.099 0.977 -0.118) 0.989 22.715 ( -0.587 0.490 0.070) 0.768 26.430 ( -0.782 0.019 -0.004) 0.782 26.470 ( -1.893 -0.939 0.923) 2.306 35.227 ( 15.439 5.536 -5.927) 17.440 35.584 ( 6.072 1.189 -4.121) 7.434 37.230 ( 3.961 -5.602 9.553) 11.762 37.921 ( -16.274 -17.528 12.943) 27.195======================= Grid point 265 (90/125) =======================q-point: ( 0.44 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.312 ( 9.876 15.694 7.070) 19.845 2.500 ( -7.804 8.524 2.297) 11.783 2.763 ( 1.955 21.462 -5.336) 22.202 2.822 ( -3.332 17.429 -5.947) 18.715 3.272 ( 7.231 -1.979 4.491) 8.739 3.372 ( -2.763 -1.966 2.968) 4.507 3.719 ( 9.147 1.231 -1.605) 9.368 3.826 ( -1.130 -0.780 0.342) 1.415 4.698 ( 4.796 -8.220 17.718) 20.112 4.777 ( -0.626 -4.635 13.362) 14.157 4.967 ( -0.614 -2.971 8.584) 9.105 5.007 ( -1.893 -2.464 5.078) 5.953 5.299 ( 8.474 4.531 -6.225) 11.449 5.477 ( -8.531 6.808 -4.809) 11.926 5.798 ( 6.259 -0.720 -2.262) 6.694 5.830 ( 1.156 5.630 11.099) 12.499 6.025 ( 9.263 0.988 -2.815) 9.731 6.309 ( -14.469 -6.824 -3.352) 16.345 6.661 ( 8.494 -6.181 6.725) 12.473 6.799 ( -4.841 -6.430 7.791) 11.201 7.216 ( 4.168 9.015 0.018) 9.931 7.309 ( -4.724 5.230 2.510) 7.481 7.624 ( 10.672 -4.926 -1.356) 11.832 7.685 ( 3.569 -6.015 0.365) 7.004 7.820 ( 10.429 -0.843 -7.095) 12.642 7.925 ( 2.115 1.191 -2.120) 3.223 7.997 ( -4.554 8.770 -0.933) 9.926 8.178 ( -17.364 -5.186 -6.328) 19.195 8.934 ( 2.297 1.310 -7.665) 8.109 9.018 ( -5.506 2.393 -5.046) 7.842 16.275 ( 3.369 -0.970 0.970) 3.637 16.310 ( -0.026 -1.722 0.506) 1.795 17.247 ( 0.321 0.189 -3.402) 3.423 17.260 ( -1.060 -0.070 -3.386) 3.549 22.696 ( 0.318 0.751 0.037) 0.817 22.704 ( -0.493 0.583 0.093) 0.770 26.424 ( 0.229 -0.254 0.225) 0.410 26.438 ( -1.192 -0.587 0.546) 1.437 35.484 ( 10.091 5.813 -6.158) 13.174 35.615 ( -2.827 4.652 -5.624) 7.827 37.372 ( 10.088 -10.368 10.882) 18.102 37.616 ( -14.137 -14.036 11.990) 23.251======================= Grid point 270 (91/125) =======================q-point: ( 0.00 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 0.000 9.932 16.321) 19.106 2.208 ( 0.000 8.029 16.506) 18.355 2.244 ( 0.000 -15.373 10.452) 18.590 2.520 ( 0.000 -5.171 0.862) 5.242 3.068 ( 0.000 3.890 -2.919) 4.863 3.238 ( 0.000 -4.833 -3.494) 5.964 3.444 ( 0.000 4.925 -13.059) 13.957 3.699 ( 0.000 -5.707 -9.654) 11.214 4.008 ( 0.000 39.036 -2.620) 39.124 4.258 ( 0.000 17.646 -1.037) 17.677 4.806 ( 0.000 -12.745 10.897) 16.769 5.090 ( 0.000 1.200 -1.529) 1.944 5.193 ( 0.000 -2.603 -0.760) 2.712 5.401 ( 0.000 -13.531 11.881) 18.007 5.524 ( 0.000 9.837 -0.343) 9.843 5.824 ( 0.000 -1.540 -4.650) 4.898 6.247 ( 0.000 -4.820 18.892) 19.497 6.402 ( 0.000 -12.209 11.114) 16.510 6.668 ( 0.000 4.976 2.044) 5.379 6.863 ( 0.000 -3.445 5.150) 6.196 7.054 ( 0.000 12.352 0.144) 12.353 7.133 ( 0.000 8.913 0.939) 8.963 7.482 ( 0.000 -7.746 0.239) 7.750 7.546 ( 0.000 0.890 0.206) 0.914 7.641 ( 0.000 -4.670 1.444) 4.888 7.674 ( 0.000 7.167 0.129) 7.168 7.734 ( 0.000 -6.634 -0.116) 6.635 8.288 ( 0.000 -11.981 -1.196) 12.041 9.498 ( 0.000 9.839 -17.968) 20.485 9.698 ( 0.000 -0.354 -13.370) 13.374 15.931 ( 0.000 1.836 0.056) 1.837 16.012 ( 0.000 -1.855 -0.039) 1.856 17.315 ( 0.000 1.440 -3.426) 3.716 17.394 ( 0.000 -2.488 -1.307) 2.810 22.724 ( 0.000 1.158 -0.986) 1.521 22.747 ( 0.000 0.105 -0.632) 0.641 26.507 ( 0.000 0.499 0.168) 0.526 26.535 ( 0.000 -0.945 1.152) 1.490 34.575 ( 0.000 7.257 1.318) 7.376 34.909 ( 0.000 -7.985 1.250) 8.082 37.402 ( 0.000 9.000 9.130) 12.820 38.076 ( 0.000 -23.188 14.201) 27.191======================= Grid point 271 (92/125) =======================q-point: ( 0.11 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 25.969 6.884 11.681) 29.296 2.221 ( 2.154 7.756 13.990) 16.140 2.399 ( 11.460 -9.462 8.119) 16.935 2.554 ( 5.220 -7.132 0.253) 8.842 3.090 ( 3.054 3.064 -1.555) 4.597 3.208 ( 0.507 -2.938 -1.482) 3.329 3.571 ( 7.204 9.648 -10.776) 16.159 3.749 ( 3.272 0.286 -7.700) 8.371 4.104 ( 10.579 30.372 -1.610) 32.202 4.317 ( 6.111 12.849 0.533) 14.238 4.781 ( -1.780 -11.867 10.746) 16.108 5.101 ( 1.105 1.654 -2.316) 3.053 5.159 ( -3.096 -5.173 0.251) 6.034 5.382 ( -1.279 -6.895 5.598) 8.974 5.607 ( 7.413 5.089 4.452) 10.034 5.823 ( -0.151 -0.763 -4.718) 4.781 6.205 ( -4.099 -3.960 17.768) 18.659 6.395 ( -0.464 -10.316 10.252) 14.552 6.609 ( -4.224 2.674 1.279) 5.160 6.808 ( -4.803 -3.638 3.407) 6.922 7.086 ( -1.161 7.515 2.196) 7.915 7.200 ( 9.382 11.713 0.236) 15.009 7.463 ( -3.549 -5.541 2.725) 7.122 7.500 ( -0.744 0.397 -0.122) 0.852 7.646 ( -1.233 3.344 -1.593) 3.904 7.758 ( 7.903 -4.937 -0.091) 9.319 7.812 ( 6.700 -3.001 0.795) 7.384 8.286 ( -0.328 -11.614 -1.258) 11.686 9.438 ( -5.893 9.065 -18.323) 21.275 9.617 ( -7.712 0.396 -11.679) 14.001 15.972 ( 3.877 1.569 0.100) 4.183 16.050 ( 3.617 -2.027 -0.053) 4.147 17.303 ( -1.051 1.301 -3.417) 3.805 17.371 ( -2.051 -2.058 -1.457) 3.250 22.722 ( -0.257 1.117 -0.825) 1.412 22.743 ( -0.376 0.113 -0.492) 0.630 26.492 ( -1.386 0.496 0.204) 1.486 26.521 ( -1.337 -0.966 1.117) 1.993 34.706 ( 12.406 6.981 -0.042) 14.235 35.024 ( 11.038 -7.432 0.806) 13.331 37.357 ( -4.226 8.205 9.097) 12.959 38.000 ( -7.369 -22.218 13.954) 27.252======================= Grid point 272 (93/125) =======================q-point: ( 0.22 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( 4.763 8.334 12.823) 16.017 2.494 ( 8.615 -2.420 2.282) 9.235 2.586 ( 17.322 2.542 0.082) 17.508 2.785 ( 14.053 -6.205 0.753) 15.380 3.226 ( 11.003 1.934 1.551) 11.278 3.288 ( 6.362 -0.561 5.557) 8.466 3.642 ( 0.706 21.268 -8.169) 22.794 3.784 ( 0.636 8.713 -4.308) 9.741 4.356 ( 9.266 7.909 3.030) 12.553 4.482 ( 9.871 1.814 5.340) 11.368 4.791 ( 4.391 -5.356 9.491) 11.750 5.075 ( -5.005 -8.196 3.949) 10.384 5.144 ( 3.438 3.031 -5.463) 7.131 5.381 ( 2.390 -1.378 -3.256) 4.268 5.785 ( 9.668 3.261 8.613) 13.352 5.812 ( -1.264 1.487 -4.795) 5.177 6.099 ( -6.092 -2.144 14.976) 16.309 6.392 ( 0.166 -4.575 7.639) 8.906 6.545 ( -2.117 -4.928 2.491) 5.914 6.701 ( -4.815 -4.227 1.838) 6.666 7.087 ( 2.468 6.786 -0.119) 7.222 7.354 ( 1.027 -2.908 2.825) 4.182 7.392 ( 0.172 4.928 -1.075) 5.047 7.529 ( 2.318 0.468 2.032) 3.118 7.644 ( 2.907 3.545 -0.670) 4.634 7.871 ( 3.803 2.996 -2.454) 5.428 7.994 ( 9.675 -6.460 1.086) 11.685 8.270 ( -1.411 -11.100 -1.465) 11.285 9.273 ( -10.373 7.321 -18.215) 22.204 9.423 ( -11.014 1.431 -8.512) 13.993 16.071 ( 5.695 0.985 0.331) 5.789 16.140 ( 4.990 -2.256 -0.037) 5.476 17.279 ( -1.243 0.968 -3.366) 3.717 17.324 ( -2.457 -1.196 -2.056) 3.420 22.716 ( -0.305 0.990 -0.467) 1.136 22.734 ( -0.544 0.145 -0.219) 0.604 26.460 ( -1.676 0.419 0.229) 1.743 26.487 ( -1.877 -0.937 0.975) 2.314 35.018 ( 17.720 6.824 -2.245) 19.121 35.303 ( 15.612 -5.612 -0.510) 16.598 37.253 ( -5.622 5.557 9.154) 12.094 37.803 ( -11.849 -19.769 13.242) 26.581======================= Grid point 273 (94/125) =======================q-point: ( 0.33 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.385 ( 6.879 8.158 8.967) 13.939 2.570 ( 2.356 -1.326 0.888) 2.845 2.892 ( 11.218 3.798 -2.141) 12.036 3.036 ( 11.216 -3.411 -0.373) 11.730 3.335 ( -0.892 10.883 7.192) 13.075 3.516 ( 13.530 -0.123 1.613) 13.626 3.632 ( -1.428 22.967 -3.808) 23.324 3.813 ( 2.609 7.135 -2.391) 7.965 4.423 ( 1.054 -8.662 9.912) 13.206 4.632 ( 3.001 -6.917 10.028) 12.547 4.896 ( 2.480 -2.292 4.271) 5.445 4.978 ( -3.002 -5.973 6.926) 9.626 5.262 ( 8.262 7.427 -7.163) 13.218 5.516 ( 10.673 -1.397 -8.039) 13.435 5.755 ( -4.766 4.395 -5.810) 8.705 5.962 ( 7.561 7.987 14.106) 17.887 5.980 ( -5.358 -4.003 7.858) 10.318 6.377 ( -3.036 -2.451 6.354) 7.456 6.500 ( -1.291 -2.262 3.022) 3.990 6.660 ( -0.366 -10.616 6.173) 12.286 7.226 ( 12.039 2.941 -4.754) 13.273 7.325 ( -0.120 1.115 -1.542) 1.907 7.429 ( 1.586 -0.079 2.684) 3.118 7.523 ( -1.258 -4.770 1.918) 5.293 7.773 ( 5.592 8.556 -1.990) 10.413 7.929 ( 3.383 3.984 -2.367) 5.738 8.131 ( 2.372 -1.060 -0.860) 2.737 8.223 ( -2.943 -10.635 -1.210) 11.100 9.062 ( -9.352 5.570 -14.715) 18.303 9.210 ( -9.991 0.589 -7.525) 12.522 16.181 ( 5.064 0.282 0.631) 5.111 16.230 ( 3.717 -2.036 0.163) 4.241 17.259 ( -0.729 0.578 -3.350) 3.477 17.282 ( -1.660 -0.516 -2.946) 3.421 22.711 ( -0.147 0.793 -0.139) 0.818 22.723 ( -0.502 0.226 -0.006) 0.551 26.432 ( -1.050 0.216 0.224) 1.095 26.452 ( -1.579 -0.750 0.723) 1.891 35.361 ( 15.858 7.007 -3.375) 17.662 35.582 ( 11.153 -1.859 -2.105) 11.502 37.165 ( -2.414 0.414 9.605) 9.912 37.556 ( -12.530 -16.557 12.244) 24.105======================= Grid point 274 (95/125) =======================q-point: ( 0.44 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.517 ( 5.629 5.712 5.174) 9.544 2.586 ( -1.169 1.789 1.978) 2.912 3.063 ( 6.830 5.682 0.686) 8.911 3.166 ( -1.677 0.294 2.667) 3.164 3.348 ( 6.829 17.159 1.434) 18.523 3.516 ( -7.539 15.290 -0.754) 17.064 3.760 ( 7.796 3.997 -0.407) 8.771 3.843 ( -0.775 4.104 -0.954) 4.284 4.475 ( 4.528 -12.692 13.400) 19.004 4.588 ( -5.830 -13.784 13.875) 20.408 4.916 ( 1.883 -0.918 1.821) 2.775 4.956 ( -1.367 -2.227 2.948) 3.940 5.444 ( 9.517 8.093 -7.426) 14.534 5.624 ( -8.212 6.659 -6.909) 12.630 5.729 ( 9.229 -4.970 -3.933) 11.196 5.871 ( -5.695 -3.611 3.927) 7.803 6.108 ( 7.300 7.783 10.232) 14.783 6.259 ( -7.606 2.450 7.445) 10.922 6.540 ( 4.173 -5.568 6.028) 9.206 6.624 ( -3.500 -10.007 7.594) 13.041 7.356 ( 2.621 3.253 1.159) 4.335 7.405 ( -1.252 2.253 3.136) 4.060 7.521 ( 9.620 -2.443 -3.552) 10.542 7.561 ( 5.347 -3.121 -1.637) 6.404 7.793 ( 1.176 -0.736 -5.882) 6.043 7.970 ( -8.391 -4.021 -6.257) 11.213 8.092 ( 3.152 4.996 -1.294) 6.048 8.181 ( -3.165 4.114 0.221) 5.195 8.963 ( -0.038 1.710 -9.748) 9.897 9.039 ( -6.842 -0.452 -7.590) 10.229 16.259 ( 2.544 -0.505 0.716) 2.691 16.277 ( 0.802 -1.344 0.501) 1.643 17.251 ( -0.011 0.211 -3.490) 3.496 17.259 ( -0.748 -0.120 -3.487) 3.568 22.710 ( 0.095 0.571 0.045) 0.581 22.715 ( -0.331 0.371 0.084) 0.504 26.420 ( -0.109 -0.085 0.286) 0.317 26.428 ( -0.822 -0.432 0.461) 1.037 35.616 ( 9.243 6.334 -3.589) 11.766 35.705 ( 0.744 3.177 -3.209) 4.577 37.182 ( 4.308 -6.603 10.405) 13.055 37.328 ( -9.943 -12.496 11.259) 19.539======================= Grid point 279 (96/125) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 0.000 -13.307 13.895) 19.239 1.943 ( 0.000 13.307 13.895) 19.239 2.374 ( 0.000 -8.028 8.978) 12.043 2.374 ( 0.000 8.028 8.978) 12.043 3.150 ( 0.000 -3.963 -4.349) 5.884 3.150 ( 0.000 3.963 -4.349) 5.884 3.566 ( 0.000 -6.563 -11.201) 12.982 3.566 ( 0.000 6.563 -11.201) 12.982 4.516 ( 0.000 -13.631 4.924) 14.493 4.516 ( 0.000 13.631 4.924) 14.493 4.879 ( 0.000 -33.863 0.304) 33.864 4.879 ( 0.000 33.863 0.303) 33.864 5.131 ( 0.000 -2.695 -0.580) 2.756 5.131 ( 0.000 2.695 -0.580) 2.756 5.724 ( 0.000 -7.943 -3.315) 8.607 5.724 ( 0.000 7.943 -3.315) 8.607 6.227 ( 0.000 -4.045 19.487) 19.902 6.227 ( 0.000 4.045 19.487) 19.902 6.781 ( 0.000 -4.759 3.278) 5.779 6.781 ( 0.000 4.759 3.278) 5.779 7.293 ( 0.000 -10.430 0.135) 10.431 7.293 ( 0.000 10.430 0.135) 10.431 7.379 ( 0.000 -13.166 4.426) 13.890 7.379 ( 0.000 13.166 4.426) 13.890 7.609 ( 0.000 -4.934 0.071) 4.935 7.609 ( 0.000 4.934 0.071) 4.935 7.991 ( 0.000 -15.690 -3.429) 16.060 7.991 ( 0.000 15.690 -3.429) 16.060 9.650 ( 0.000 -4.707 -15.003) 15.724 9.650 ( 0.000 4.707 -15.003) 15.724 15.971 ( 0.000 -1.997 0.014) 1.997 15.971 ( 0.000 1.997 0.014) 1.997 17.349 ( 0.000 -1.869 -2.442) 3.076 17.349 ( 0.000 1.869 -2.442) 3.076 22.743 ( 0.000 -0.563 -0.857) 1.025 22.743 ( 0.000 0.563 -0.857) 1.025 26.519 ( 0.000 -0.628 0.629) 0.889 26.519 ( 0.000 0.628 0.629) 0.889 34.738 ( 0.000 -8.248 1.287) 8.348 34.738 ( 0.000 8.248 1.287) 8.348 37.664 ( 0.000 -16.306 11.789) 20.121 37.664 ( 0.000 16.306 11.789) 20.121======================= Grid point 281 (97/125) =======================q-point: ( 0.11 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( 19.746 -9.390 10.880) 24.422 2.183 ( 19.746 9.390 10.880) 24.422 2.395 ( 3.255 -7.932 7.042) 11.095 2.395 ( 3.255 7.932 7.042) 11.095 3.151 ( 1.729 -2.756 -2.631) 4.184 3.151 ( 1.729 2.756 -2.631) 4.184 3.697 ( 10.408 -4.359 -8.552) 14.158 3.697 ( 10.408 4.359 -8.552) 14.158 4.527 ( 0.708 -12.705 6.568) 14.320 4.527 ( 0.708 12.705 6.568) 14.320 4.843 ( -2.327 -29.003 -1.272) 29.124 4.843 ( -2.327 29.003 -1.272) 29.124 5.169 ( 3.385 -5.976 -1.140) 6.962 5.169 ( 3.385 5.976 -1.140) 6.962 5.746 ( 2.413 -6.269 -3.037) 7.372 5.746 ( 2.413 6.269 -3.037) 7.372 6.210 ( -1.505 -5.268 19.098) 19.868 6.210 ( -1.505 5.268 19.098) 19.868 6.719 ( -5.269 -5.219 1.979) 7.676 6.719 ( -5.269 5.219 1.979) 7.676 7.259 ( -2.175 -7.875 4.081) 9.132 7.259 ( -2.175 7.875 4.081) 9.132 7.462 ( 4.450 -7.081 -0.049) 8.363 7.462 ( 4.450 7.081 -0.049) 8.363 7.638 ( 4.694 -2.719 0.616) 5.459 7.638 ( 4.694 2.719 0.616) 5.459 8.006 ( 1.353 -14.064 -3.224) 14.492 8.006 ( 1.353 14.064 -3.224) 14.492 9.579 ( -6.831 -4.318 -14.418) 16.528 9.579 ( -6.831 4.318 -14.418) 16.528 16.008 ( 3.538 -1.929 0.060) 4.030 16.008 ( 3.538 1.929 0.060) 4.030 17.333 ( -1.417 -1.619 -2.537) 3.327 17.333 ( -1.417 1.619 -2.537) 3.327 22.739 ( -0.332 -0.531 -0.707) 0.945 22.739 ( -0.332 0.531 -0.707) 0.945 26.504 ( -1.376 -0.656 0.637) 1.652 26.504 ( -1.376 0.656 0.637) 1.652 34.862 ( 11.916 -7.901 0.621) 14.311 34.862 ( 11.916 7.901 0.621) 14.311 37.604 ( -5.760 -15.614 11.586) 20.278 37.604 ( -5.760 15.614 11.586) 20.278======================= Grid point 283 (98/125) =======================q-point: ( 0.22 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.410 ( 5.013 -5.559 7.264) 10.430 2.410 ( 5.013 5.559 7.264) 10.430 2.663 ( 18.850 -5.019 0.947) 19.529 2.663 ( 18.850 5.019 0.947) 19.529 3.260 ( 9.254 -1.599 3.057) 9.877 3.260 ( 9.254 1.599 3.057) 9.877 3.879 ( 6.632 -1.433 -3.651) 7.705 3.879 ( 6.632 1.433 -3.651) 7.705 4.504 ( -3.950 -1.512 7.477) 8.590 4.504 ( -3.950 1.512 7.477) 8.590 4.842 ( 2.423 -11.821 -0.540) 12.079 4.842 ( 2.423 11.821 -0.540) 12.079 5.263 ( 6.467 -7.909 -4.558) 11.187 5.263 ( 6.467 7.909 -4.558) 11.187 5.813 ( 3.534 -0.977 -1.933) 4.145 5.813 ( 3.534 0.977 -1.933) 4.145 6.185 ( -0.239 -9.446 18.924) 21.152 6.185 ( -0.239 9.446 18.924) 21.152 6.607 ( -5.525 -4.872 0.617) 7.393 6.607 ( -5.525 4.872 0.617) 7.393 7.230 ( -0.029 -6.920 1.417) 7.064 7.230 ( -0.029 6.920 1.417) 7.064 7.482 ( -1.147 -3.723 0.942) 4.008 7.482 ( -1.147 3.723 0.942) 4.008 7.819 ( 11.412 -9.748 0.095) 15.009 7.819 ( 11.412 9.748 0.095) 15.009 8.029 ( 0.484 -10.901 -2.976) 11.310 8.029 ( 0.484 10.901 -2.976) 11.310 9.396 ( -11.053 -3.931 -12.974) 17.491 9.396 ( -11.053 3.931 -12.974) 17.491 16.098 ( 5.145 -1.692 0.199) 5.420 16.098 ( 5.145 1.692 0.199) 5.420 17.300 ( -1.730 -1.078 -2.825) 3.484 17.300 ( -1.730 1.079 -2.825) 3.484 22.731 ( -0.454 -0.442 -0.380) 0.739 22.731 ( -0.454 0.442 -0.380) 0.739 26.471 ( -1.791 -0.643 0.592) 1.993 26.471 ( -1.791 0.643 0.592) 1.993 35.167 ( 17.425 -7.194 -0.699) 18.865 35.167 ( 17.425 7.194 -0.699) 18.865 37.452 ( -9.010 -13.559 11.092) 19.699 37.452 ( -9.010 13.559 11.092) 19.699======================= Grid point 285 (99/125) =======================q-point: ( 0.33 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( 5.035 -4.342 4.934) 8.279 2.511 ( 5.035 4.342 4.934) 8.279 2.962 ( 11.378 -3.341 -1.539) 11.958 2.962 ( 11.378 3.341 -1.539) 11.958 3.467 ( 9.637 -4.115 5.960) 12.055 3.467 ( 9.637 4.115 5.960) 12.055 3.960 ( 2.049 -1.197 -0.228) 2.384 3.960 ( 2.049 1.197 -0.228) 2.384 4.390 ( -6.344 -10.974 6.052) 14.047 4.390 ( -6.344 10.974 6.052) 14.047 4.894 ( 2.061 -2.024 2.395) 3.753 4.894 ( 2.061 2.024 2.395) 3.753 5.426 ( 9.275 -7.186 -6.878) 13.600 5.426 ( 9.275 7.186 -6.878) 13.600 5.838 ( -1.765 -4.800 -1.537) 5.340 5.838 ( -1.765 4.799 -1.537) 5.340 6.224 ( 3.749 -12.240 19.876) 23.642 6.224 ( 3.749 12.240 19.876) 23.642 6.512 ( -3.855 -3.400 0.332) 5.150 6.512 ( -3.855 3.400 0.332) 5.150 7.287 ( 6.099 -3.414 -3.405) 7.775 7.287 ( 6.099 3.414 -3.405) 7.775 7.456 ( -0.662 -2.007 2.334) 3.149 7.456 ( -0.662 2.007 2.334) 3.149 7.973 ( -1.924 -8.810 -2.686) 9.409 7.973 ( -1.924 8.810 -2.686) 9.409 8.063 ( 7.583 -3.918 -0.774) 8.570 8.063 ( 7.583 3.918 -0.774) 8.570 9.171 ( -10.794 -4.092 -11.223) 16.100 9.171 ( -10.794 4.092 -11.223) 16.100 16.196 ( 4.321 -1.184 0.397) 4.497 16.196 ( 4.321 1.184 0.397) 4.497 17.271 ( -1.162 -0.569 -3.226) 3.476 17.271 ( -1.162 0.569 -3.226) 3.476 22.723 ( -0.352 -0.297 -0.087) 0.469 22.723 ( -0.352 0.297 -0.087) 0.469 26.439 ( -1.315 -0.475 0.468) 1.474 26.439 ( -1.315 0.475 0.468) 1.474 35.500 ( 14.924 -5.837 -1.710) 16.116 35.500 ( 14.924 5.837 -1.710) 16.116 37.272 ( -8.393 -9.906 10.602) 16.762 37.272 ( -8.393 9.906 10.602) 16.762======================= Grid point 287 (100/125) =======================q-point: ( 0.44 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( 2.250 -1.556 3.310) 4.294 2.589 ( 2.250 1.556 3.310) 4.294 3.123 ( 4.475 -2.164 2.276) 5.467 3.123 ( 4.475 2.164 2.276) 5.467 3.600 ( 3.574 -5.514 2.034) 6.879 3.600 ( 3.574 5.514 2.034) 6.879 3.967 ( -0.864 -1.317 1.193) 1.976 3.967 ( -0.864 1.317 1.193) 1.976 4.298 ( -2.261 -5.433 7.551) 9.573 4.298 ( -2.261 5.433 7.551) 9.573 4.921 ( 0.691 -1.077 1.779) 2.192 4.921 ( 0.691 1.077 1.779) 2.192 5.605 ( 8.387 -6.991 -4.852) 11.948 5.605 ( 8.387 6.991 -4.852) 11.948 5.753 ( -6.235 -6.122 -3.428) 9.387 5.753 ( -6.235 6.122 -3.428) 9.387 6.287 ( 1.800 -5.231 19.767) 20.526 6.287 ( 1.800 5.231 19.767) 20.526 6.459 ( -1.388 -1.421 0.450) 2.037 6.459 ( -1.388 1.421 0.450) 2.037 7.385 ( 1.103 -1.569 2.185) 2.907 7.385 ( 1.103 1.569 2.185) 2.907 7.535 ( 9.341 -1.797 -3.524) 10.144 7.535 ( 9.341 1.797 -3.524) 10.144 7.845 ( -8.669 -5.601 -5.460) 11.677 7.845 ( -8.669 5.601 -5.460) 11.677 8.197 ( 4.022 -2.891 0.190) 4.957 8.197 ( 4.022 2.891 0.190) 4.957 9.007 ( -4.761 -2.271 -9.823) 11.150 9.007 ( -4.761 2.271 -9.823) 11.150 16.258 ( 1.670 -0.426 0.552) 1.809 16.258 ( 1.670 0.426 0.552) 1.809 17.255 ( -0.385 -0.178 -3.529) 3.554 17.255 ( -0.385 0.178 -3.529) 3.554 22.718 ( -0.129 -0.105 0.065) 0.178 22.718 ( -0.129 0.105 0.065) 0.178 26.421 ( -0.462 -0.174 0.361) 0.612 26.421 ( -0.462 0.174 0.361) 0.612 35.716 ( 5.964 -2.481 -2.215) 6.829 35.716 ( 5.964 2.481 -2.215) 6.829 37.147 ( -3.582 -3.862 10.387) 11.647 37.147 ( -3.582 3.862 10.387) 11.647======================= Grid point 324 (101/125) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 0.000 0.000 6.498) 6.498 1.757 ( 0.000 0.000 10.960) 10.960 2.411 ( 0.000 0.000 0.027) 0.027 2.506 ( 0.000 0.000 -4.586) 4.586 2.863 ( 0.000 0.000 -5.831) 5.831 3.061 ( 0.000 0.000 -8.468) 8.468 3.126 ( 0.000 0.000 -7.342) 7.342 3.272 ( 0.000 0.000 3.742) 3.742 3.739 ( 0.000 0.000 1.859) 1.859 3.757 ( 0.000 0.000 3.629) 3.629 4.968 ( 0.000 0.000 0.715) 0.715 5.034 ( 0.000 0.000 -2.052) 2.052 5.564 ( 0.000 0.000 3.553) 3.553 5.566 ( 0.000 0.000 -1.289) 1.289 5.679 ( 0.000 0.000 0.276) 0.276 5.855 ( 0.000 0.000 27.498) 27.498 6.104 ( 0.000 0.000 -3.091) 3.091 6.444 ( 0.000 0.000 0.172) 0.172 6.599 ( 0.000 0.000 -22.694) 22.694 6.868 ( 0.000 0.000 1.397) 1.397 6.899 ( 0.000 0.000 2.004) 2.004 7.238 ( 0.000 0.000 28.491) 28.491 7.680 ( 0.000 0.000 0.459) 0.459 7.682 ( 0.000 0.000 -0.222) 0.222 7.904 ( 0.000 0.000 -13.445) 13.445 7.992 ( 0.000 0.000 -0.042) 0.042 8.014 ( 0.000 0.000 0.016) 0.016 8.408 ( 0.000 0.000 0.779) 0.779 8.547 ( 0.000 0.000 -3.912) 3.912 9.455 ( 0.000 0.000 -8.193) 8.193 15.868 ( 0.000 0.000 0.039) 0.039 16.075 ( 0.000 0.000 -0.072) 0.072 17.195 ( 0.000 0.000 -1.896) 1.896 17.538 ( 0.000 0.000 -0.054) 0.054 22.653 ( 0.000 0.000 0.006) 0.006 22.726 ( 0.000 0.000 0.067) 0.067 26.480 ( 0.000 0.000 -0.254) 0.254 26.627 ( 0.000 0.000 0.629) 0.629 34.348 ( 0.000 0.000 0.527) 0.527 35.218 ( 0.000 0.000 0.474) 0.474 37.340 ( 0.000 0.000 2.307) 2.307 39.365 ( 0.000 0.000 0.140) 0.140======================= Grid point 325 (102/125) =======================q-point: ( 0.11 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 0.464 0.000 6.356) 6.373 2.056 ( 26.349 0.000 5.970) 27.016 2.393 ( -1.892 0.000 -0.146) 1.898 2.501 ( -0.476 0.000 -4.322) 4.348 2.928 ( -15.390 0.000 -5.979) 16.510 2.937 ( 6.929 0.000 -5.023) 8.558 3.303 ( 17.346 0.000 -1.663) 17.425 3.337 ( 8.324 0.000 -0.700) 8.353 3.883 ( 15.004 0.000 4.679) 15.716 3.944 ( 16.174 0.000 0.579) 16.184 4.988 ( -0.640 0.000 0.585) 0.867 5.032 ( 1.932 0.000 -3.385) 3.898 5.468 ( -5.308 0.000 1.850) 5.621 5.629 ( 1.998 0.000 0.520) 2.065 5.722 ( 3.618 0.000 7.529) 8.354 5.904 ( 5.939 0.000 21.045) 21.867 5.989 ( -8.636 0.000 -3.460) 9.303 6.573 ( 9.749 0.000 0.401) 9.757 6.593 ( -1.346 0.000 -20.322) 20.366 6.882 ( 1.374 0.000 1.200) 1.825 6.930 ( 3.483 0.000 2.005) 4.019 7.062 ( -12.167 0.000 19.192) 22.724 7.494 ( -18.669 0.000 -1.790) 18.755 7.693 ( 1.169 0.000 -0.204) 1.187 7.901 ( 7.256 0.000 0.548) 7.277 7.998 ( -1.674 0.000 0.035) 1.674 8.269 ( 14.830 0.000 -3.646) 15.272 8.386 ( -2.286 0.000 0.774) 2.414 8.540 ( -0.027 0.000 -6.257) 6.257 9.354 ( -9.795 0.000 -6.989) 12.032 15.922 ( 5.191 0.000 -0.047) 5.192 16.122 ( 4.332 0.000 -0.269) 4.340 17.190 ( -0.421 0.000 -1.828) 1.876 17.493 ( -4.241 0.000 0.145) 4.243 22.655 ( 0.145 0.000 0.006) 0.145 22.723 ( -0.293 0.000 0.065) 0.300 26.467 ( -1.137 0.000 -0.229) 1.160 26.609 ( -1.727 0.000 0.587) 1.824 34.453 ( 9.987 0.000 -0.280) 9.991 35.280 ( 5.582 0.000 -0.015) 5.582 37.345 ( 0.805 0.000 2.500) 2.626 39.237 ( -12.342 0.000 0.933) 12.378======================= Grid point 326 (103/125) =======================q-point: ( 0.22 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 2.240 0.000 5.636) 6.065 2.320 ( -6.281 0.000 -1.428) 6.441 2.487 ( -0.924 0.000 -3.512) 3.631 2.633 ( -12.322 0.000 -4.348) 13.067 2.643 ( 29.957 0.000 0.497) 29.962 3.109 ( 9.783 0.000 -2.601) 10.122 3.460 ( 6.485 0.000 -1.055) 6.570 3.647 ( 13.186 0.000 2.400) 13.403 4.283 ( 17.106 0.000 0.092) 17.106 4.413 ( 34.682 0.000 6.549) 35.295 4.931 ( -3.802 0.000 -0.788) 3.883 5.102 ( 3.981 0.000 -5.985) 7.188 5.359 ( -5.694 0.000 2.144) 6.085 5.641 ( -0.727 0.000 0.126) 0.738 5.777 ( 1.756 0.000 21.139) 21.211 5.821 ( -7.795 0.000 -4.132) 8.823 6.130 ( 15.237 0.000 8.964) 17.678 6.496 ( -7.770 0.000 -4.235) 8.849 6.749 ( 7.036 0.000 1.107) 7.123 6.903 ( -4.435 0.000 2.947) 5.325 6.916 ( 1.872 0.000 1.325) 2.294 7.053 ( 9.011 0.000 1.296) 9.103 7.124 ( -15.088 0.000 -9.537) 17.850 7.732 ( 2.924 0.000 -0.137) 2.927 7.945 ( -3.677 0.000 0.092) 3.678 7.958 ( -2.895 0.000 10.209) 10.611 8.319 ( -4.385 0.000 0.747) 4.449 8.527 ( 10.665 0.000 -8.480) 13.625 8.566 ( 1.805 0.000 -6.888) 7.120 9.102 ( -14.038 0.000 -3.574) 14.486 16.057 ( 7.906 0.000 0.118) 7.907 16.224 ( 5.385 0.000 -0.717) 5.432 17.184 ( -0.123 0.000 -1.626) 1.631 17.389 ( -5.692 0.000 0.260) 5.698 22.659 ( 0.299 0.000 0.007) 0.299 22.715 ( -0.524 0.000 0.060) 0.527 26.442 ( -1.149 0.000 -0.177) 1.162 26.564 ( -2.695 0.000 0.477) 2.737 34.708 ( 14.668 0.000 -1.692) 14.765 35.397 ( 5.060 0.000 -1.178) 5.195 37.393 ( 4.645 0.000 3.021) 5.541 38.911 ( -19.408 0.000 2.452) 19.562======================= Grid point 327 (104/125) =======================q-point: ( 0.33 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 5.463 0.000 3.786) 6.647 2.122 ( -12.669 0.000 -3.426) 13.124 2.463 ( -1.493 0.000 -1.697) 2.260 2.486 ( -3.164 0.000 -2.627) 4.112 3.171 ( 21.617 0.000 1.107) 21.645 3.311 ( 10.793 0.000 -3.243) 11.269 3.561 ( 3.713 0.000 -0.159) 3.716 3.856 ( 7.035 0.000 2.545) 7.482 4.605 ( 15.120 0.000 0.104) 15.121 4.871 ( -0.862 0.000 -1.749) 1.950 4.982 ( 12.434 0.000 13.678) 18.485 5.239 ( -6.580 0.000 1.685) 6.793 5.264 ( 18.476 0.000 -10.816) 21.409 5.610 ( -1.917 0.000 -0.402) 1.959 5.688 ( -5.490 0.000 -4.032) 6.811 5.825 ( 4.356 0.000 19.489) 19.970 6.160 ( -11.854 0.000 14.175) 18.479 6.621 ( 11.892 0.000 -4.308) 12.648 6.659 ( -8.761 0.000 -1.104) 8.831 6.853 ( 3.957 0.000 1.445) 4.213 6.947 ( 0.966 0.000 1.539) 1.817 7.132 ( 11.708 0.000 -12.739) 17.301 7.267 ( 11.758 0.000 0.716) 11.780 7.804 ( 2.518 0.000 0.023) 2.518 7.810 ( -10.808 0.000 10.779) 15.265 7.857 ( -3.460 0.000 0.178) 3.464 8.214 ( -6.090 0.000 0.667) 6.126 8.446 ( -15.273 0.000 -15.364) 21.664 8.719 ( 7.709 0.000 -2.004) 7.965 8.911 ( -3.319 0.000 0.316) 3.334 16.212 ( 7.101 0.000 0.588) 7.125 16.315 ( 3.459 0.000 -0.897) 3.574 17.187 ( 0.409 0.000 -1.359) 1.420 17.286 ( -4.340 0.000 -0.185) 4.344 22.667 ( 0.457 0.000 0.012) 0.457 22.703 ( -0.652 0.000 0.050) 0.654 26.428 ( -0.255 0.000 -0.089) 0.270 26.509 ( -2.676 0.000 0.334) 2.697 34.997 ( 13.753 0.000 -2.606) 13.998 35.449 ( -0.204 0.000 -2.279) 2.289 37.542 ( 10.304 0.000 3.608) 10.917 38.508 ( -20.470 0.000 3.537) 20.774======================= Grid point 328 (105/125) =======================q-point: ( 0.44 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 9.116 0.000 0.848) 9.155 1.870 ( -12.070 0.000 -2.103) 12.252 2.444 ( -0.204 0.000 -1.136) 1.155 2.453 ( -0.986 0.000 -2.035) 2.262 3.430 ( 7.040 0.000 2.482) 7.464 3.498 ( 1.776 0.000 -1.713) 2.467 3.683 ( 11.530 0.000 -0.315) 11.534 3.877 ( -5.348 0.000 0.479) 5.369 4.877 ( 12.213 0.000 0.345) 12.217 4.914 ( 4.935 0.000 -0.209) 4.940 5.014 ( -3.674 0.000 3.544) 5.105 5.087 ( -8.999 0.000 0.886) 9.043 5.584 ( -0.328 0.000 -1.473) 1.509 5.606 ( -2.659 0.000 -2.942) 3.965 5.645 ( 14.652 0.000 11.406) 18.568 5.895 ( -11.377 0.000 13.670) 17.785 6.015 ( 12.559 0.000 5.379) 13.662 6.316 ( -16.059 0.000 -12.578) 20.398 6.916 ( 2.428 0.000 1.527) 2.868 6.949 ( -0.809 0.000 1.578) 1.774 7.049 ( 20.283 0.000 9.364) 22.340 7.349 ( -2.193 0.000 1.934) 2.924 7.496 ( 10.961 0.000 0.460) 10.971 7.662 ( 7.017 0.000 -5.738) 9.065 7.692 ( -8.700 0.000 0.288) 8.705 7.942 ( 6.781 0.000 0.275) 6.786 8.041 ( -22.841 0.000 -15.232) 27.454 8.082 ( -7.072 0.000 0.505) 7.090 8.836 ( 4.144 0.000 -0.730) 4.208 8.887 ( -1.167 0.000 -0.346) 1.218 16.321 ( 3.647 0.000 0.526) 3.684 16.354 ( 0.259 0.000 -0.332) 0.421 17.198 ( 0.745 0.000 -1.138) 1.360 17.223 ( -2.013 0.000 -0.820) 2.173 22.677 ( 0.592 0.000 0.022) 0.593 22.690 ( -0.669 0.000 0.036) 0.670 26.434 ( 0.892 0.000 0.041) 0.893 26.462 ( -1.950 0.000 0.187) 1.959 35.235 ( 10.018 0.000 -2.953) 10.444 35.390 ( -5.533 0.000 -2.862) 6.229 37.793 ( 14.802 0.000 3.960) 15.323 38.121 ( -18.166 0.000 3.972) 18.595======================= Grid point 333 (106/125) =======================q-point: ( 0.00 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 0.000 1.443 10.373) 10.472 1.809 ( 0.000 31.975 8.503) 33.086 2.441 ( 0.000 2.541 0.672) 2.628 2.570 ( 0.000 6.589 -7.873) 10.266 2.813 ( 0.000 -5.233 -2.500) 5.800 3.061 ( 0.000 0.779 -8.937) 8.971 3.065 ( 0.000 -3.267 -1.974) 3.817 3.448 ( 0.000 13.980 -0.943) 14.011 3.671 ( 0.000 -7.051 3.192) 7.740 3.728 ( 0.000 -1.389 -0.166) 1.399 5.012 ( 0.000 3.510 0.572) 3.557 5.036 ( 0.000 0.974 -1.919) 2.152 5.487 ( 0.000 -7.539 5.556) 9.365 5.580 ( 0.000 -2.379 2.539) 3.479 5.640 ( 0.000 0.687 -3.442) 3.510 5.858 ( 0.000 -0.298 16.707) 16.709 6.213 ( 0.000 9.734 3.177) 10.239 6.555 ( 0.000 9.606 0.167) 9.607 6.631 ( 0.000 2.968 -16.642) 16.905 6.886 ( 0.000 1.419 4.499) 4.717 6.947 ( 0.000 4.003 1.803) 4.390 7.118 ( 0.000 -7.075 17.461) 18.840 7.583 ( 0.000 -22.607 -8.313) 24.088 7.632 ( 0.000 -3.062 0.069) 3.063 7.681 ( 0.000 -1.469 0.166) 1.478 7.958 ( 0.000 -3.227 -0.052) 3.228 8.255 ( 0.000 12.369 6.236) 13.852 8.360 ( 0.000 -2.989 5.777) 6.504 8.636 ( 0.000 5.907 -17.558) 18.525 9.464 ( 0.000 1.254 -6.409) 6.531 15.876 ( 0.000 0.748 0.037) 0.749 16.067 ( 0.000 -0.752 -0.065) 0.755 17.204 ( 0.000 0.827 -1.823) 2.002 17.511 ( 0.000 -2.395 -0.016) 2.395 22.662 ( 0.000 0.840 -0.087) 0.845 22.730 ( 0.000 0.306 0.027) 0.308 26.484 ( 0.000 0.378 -0.207) 0.431 26.614 ( 0.000 -1.201 0.671) 1.376 34.377 ( 0.000 2.787 0.526) 2.837 35.181 ( 0.000 -3.507 0.478) 3.539 37.343 ( 0.000 0.578 2.440) 2.507 39.194 ( 0.000 -15.717 1.504) 15.789======================= Grid point 334 (107/125) =======================q-point: ( 0.11 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -0.467 30.693 8.480) 31.847 2.056 ( 24.664 0.433 5.321) 25.235 2.422 ( -1.851 2.478 0.235) 3.102 2.559 ( -1.050 5.881 -7.211) 9.364 2.894 ( 6.188 -3.567 -2.110) 7.448 2.988 ( -7.257 3.823 -4.068) 9.156 3.283 ( 17.787 -2.049 -3.530) 18.249 3.379 ( 0.084 5.196 -0.688) 5.242 3.825 ( 17.941 -4.503 3.946) 18.914 3.978 ( 17.819 2.983 -0.606) 18.077 5.002 ( -1.954 0.932 -0.569) 2.238 5.053 ( 2.197 2.440 -2.077) 3.886 5.431 ( -4.263 -5.422 5.990) 9.135 5.623 ( 2.146 -1.672 0.158) 2.725 5.634 ( -0.255 -3.802 -0.507) 3.844 5.909 ( 5.597 0.251 16.973) 17.874 6.124 ( -5.961 10.683 2.196) 12.429 6.608 ( -0.994 3.093 -12.481) 12.897 6.692 ( 8.456 9.122 -1.303) 12.507 6.866 ( -3.197 -2.993 9.843) 10.774 6.964 ( 2.322 2.196 3.565) 4.788 7.032 ( -3.938 1.178 4.305) 5.953 7.343 ( -16.670 -14.340 -4.806) 22.508 7.660 ( 1.824 -2.747 -0.263) 3.308 7.807 ( 7.100 -4.534 0.124) 8.425 8.065 ( 6.427 -8.285 1.406) 10.580 8.221 ( -3.931 7.004 8.738) 11.869 8.394 ( 4.304 0.420 1.970) 4.752 8.620 ( -1.324 4.592 -18.555) 19.161 9.376 ( -8.534 2.306 -5.133) 10.222 15.927 ( 4.995 0.560 -0.030) 5.026 16.112 ( 4.174 -0.913 -0.228) 4.278 17.198 ( -0.490 0.760 -1.764) 1.982 17.470 ( -3.900 -2.067 0.124) 4.416 22.664 ( 0.112 0.809 -0.072) 0.820 22.727 ( -0.291 0.309 0.032) 0.425 26.471 ( -1.181 0.339 -0.185) 1.243 26.597 ( -1.649 -1.135 0.624) 2.097 34.483 ( 10.124 2.912 -0.223) 10.537 35.252 ( 6.482 -2.698 0.053) 7.021 37.340 ( -0.011 -0.169 2.598) 2.604 39.075 ( -11.452 -14.884 2.059) 18.892======================= Grid point 335 (108/125) =======================q-point: ( 0.22 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 1.291 29.765 7.779) 30.792 2.359 ( -4.001 3.563 -2.547) 5.932 2.529 ( -0.825 3.321 -4.727) 5.836 2.550 ( 14.252 -0.982 -1.294) 14.344 2.849 ( 3.518 12.785 -0.906) 13.291 3.076 ( 9.541 -2.923 -2.344) 10.251 3.450 ( 5.248 -0.537 -1.104) 5.389 3.600 ( 13.725 -4.030 2.107) 14.459 4.336 ( 17.869 4.470 0.267) 18.421 4.392 ( 34.458 -1.516 5.238) 34.887 4.943 ( -3.568 1.118 -1.184) 3.922 5.105 ( 2.884 0.416 -5.217) 5.975 5.342 ( -4.278 -3.142 5.148) 7.395 5.604 ( -2.248 -3.066 1.914) 4.256 5.637 ( -1.596 -6.328 -1.570) 6.713 5.972 ( -2.615 7.494 17.659) 19.361 6.168 ( 13.133 4.099 3.061) 14.094 6.495 ( -9.009 0.498 1.166) 9.098 6.803 ( -0.872 -2.058 2.280) 3.193 6.855 ( 4.435 4.557 1.796) 6.607 6.974 ( -5.892 -0.079 -3.830) 7.028 7.037 ( -6.026 -4.736 -8.898) 11.744 7.105 ( 9.932 4.880 1.173) 11.128 7.710 ( 3.234 -2.048 -0.171) 3.831 7.883 ( -0.136 -3.239 5.173) 6.105 8.088 ( -7.450 7.626 8.968) 13.932 8.139 ( -0.719 -12.576 0.781) 12.621 8.528 ( 6.692 -2.056 0.305) 7.007 8.587 ( -1.441 1.479 -20.357) 20.461 9.162 ( -11.529 5.200 -2.054) 12.813 16.058 ( 7.604 0.085 0.122) 7.606 16.212 ( 5.269 -1.184 -0.603) 5.434 17.190 ( -0.255 0.567 -1.586) 1.703 17.374 ( -5.243 -1.319 0.153) 5.408 22.667 ( 0.246 0.729 -0.038) 0.770 22.719 ( -0.513 0.322 0.042) 0.607 26.445 ( -1.237 0.219 -0.140) 1.264 26.553 ( -2.566 -0.953 0.502) 2.783 34.742 ( 14.942 3.303 -1.533) 15.379 35.394 ( 6.549 -0.425 -0.994) 6.638 37.365 ( 3.257 -2.295 3.052) 5.019 38.772 ( -18.161 -12.910 3.114) 22.498======================= Grid point 336 (109/125) =======================q-point: ( 0.33 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.852 ( 3.794 28.306 6.086) 29.200 2.245 ( -7.145 10.876 -5.128) 13.988 2.493 ( -1.586 2.789 -1.487) 3.536 2.560 ( -3.755 6.890 -2.686) 8.293 3.186 ( 17.645 1.407 2.336) 17.854 3.280 ( 11.834 -2.298 -3.938) 12.682 3.546 ( 4.260 -1.245 0.389) 4.456 3.826 ( 7.850 -2.668 1.854) 8.496 4.661 ( 14.836 4.881 0.949) 15.647 4.875 ( 0.879 -0.027 -2.297) 2.460 4.964 ( 11.830 -1.205 13.380) 17.900 5.187 ( 3.126 -3.705 -3.982) 6.273 5.311 ( 7.581 2.500 -3.805) 8.843 5.553 ( -1.725 -5.740 -0.054) 5.994 5.575 ( -4.178 -6.631 -1.991) 8.087 5.943 ( 0.739 8.054 15.083) 17.114 6.188 ( -11.436 2.728 14.447) 18.626 6.580 ( -14.779 -6.406 -8.543) 18.233 6.603 ( 17.967 -1.653 3.063) 18.301 6.929 ( 3.415 5.738 2.725) 7.212 6.970 ( 2.460 2.309 -0.244) 3.383 7.113 ( 11.215 -1.309 -12.154) 16.589 7.339 ( 12.485 6.369 0.329) 14.019 7.776 ( -3.648 -3.679 7.155) 8.834 7.796 ( -1.585 -1.552 4.163) 4.717 7.927 ( -7.376 7.167 1.418) 10.382 8.090 ( -4.241 -9.956 -0.019) 10.822 8.400 ( -14.738 -4.288 -15.032) 21.484 8.712 ( 7.665 -0.445 -3.017) 8.249 8.987 ( -5.302 5.684 -0.248) 7.777 16.206 ( 6.825 -0.466 0.531) 6.862 16.302 ( 3.485 -1.254 -0.753) 3.779 17.190 ( 0.260 0.292 -1.351) 1.406 17.279 ( -4.004 -0.587 -0.298) 4.058 22.673 ( 0.397 0.623 -0.005) 0.739 22.707 ( -0.627 0.358 0.044) 0.723 26.428 ( -0.370 0.030 -0.066) 0.377 26.501 ( -2.529 -0.706 0.348) 2.649 35.037 ( 14.045 3.856 -2.375) 14.757 35.474 ( 0.995 2.257 -2.024) 3.191 37.486 ( 9.023 -4.973 3.604) 10.914 38.392 ( -19.332 -10.734 3.836) 22.442======================= Grid point 337 (110/125) =======================q-point: ( 0.44 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 6.230 25.275 2.431) 26.145 2.093 ( -7.723 19.654 -2.357) 21.248 2.479 ( 0.258 3.095 -1.083) 3.290 2.502 ( -2.065 5.035 -2.540) 6.005 3.400 ( 6.739 -2.703 2.180) 7.581 3.466 ( 1.562 -2.691 -0.745) 3.199 3.684 ( 11.087 0.252 -0.361) 11.095 3.862 ( -4.525 -1.282 0.376) 4.718 4.896 ( 7.456 0.400 2.193) 7.782 4.950 ( 8.689 4.543 -2.061) 10.020 5.006 ( -3.279 -0.559 4.041) 5.233 5.118 ( -6.704 2.078 1.561) 7.190 5.455 ( 0.791 -8.919 3.992) 9.803 5.493 ( -3.458 -8.955 0.504) 9.613 5.698 ( 13.606 0.929 -1.382) 13.707 5.931 ( -10.086 2.543 8.117) 13.193 6.057 ( 7.693 4.240 9.956) 13.277 6.288 ( -13.626 -1.890 -9.776) 16.876 6.912 ( 7.214 -2.218 5.419) 9.292 6.968 ( -0.542 1.038 2.543) 2.799 7.081 ( 13.967 4.948 5.285) 15.732 7.335 ( -1.218 -0.270 1.287) 1.792 7.574 ( 10.556 6.273 0.478) 12.288 7.639 ( 6.333 -2.019 -4.386) 7.964 7.773 ( -8.116 5.844 -0.087) 10.002 7.890 ( 4.924 -3.680 0.104) 6.148 7.969 ( -11.014 -6.693 -7.989) 15.163 8.044 ( -15.580 -2.878 -6.991) 17.317 8.838 ( 5.010 0.062 -1.209) 5.154 8.916 ( -3.096 2.227 -0.713) 3.880 16.311 ( 3.478 -0.875 0.475) 3.618 16.341 ( 0.359 -1.120 -0.265) 1.206 17.199 ( 0.641 0.054 -1.158) 1.324 17.221 ( -1.861 -0.154 -0.878) 2.064 22.683 ( 0.537 0.515 0.019) 0.745 22.694 ( -0.627 0.423 0.036) 0.757 26.432 ( 0.763 -0.195 0.051) 0.789 26.458 ( -1.809 -0.443 0.193) 1.872 35.280 ( 10.090 4.224 -2.683) 11.262 35.431 ( -5.076 3.874 -2.582) 6.888 37.716 ( 13.858 -7.125 3.974) 16.081 38.026 ( -17.237 -8.855 4.073) 19.801======================= Grid point 342 (111/125) =======================q-point: ( 0.00 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( 0.000 4.447 9.200) 10.218 2.372 ( 0.000 14.058 14.671) 20.319 2.501 ( 0.000 3.047 -0.077) 3.048 2.647 ( 0.000 -10.232 2.172) 10.460 2.876 ( 0.000 23.432 -12.832) 26.716 3.021 ( 0.000 -0.409 -2.047) 2.088 3.113 ( 0.000 4.128 -8.319) 9.287 3.543 ( 0.000 0.422 4.574) 4.593 3.667 ( 0.000 -4.672 -3.270) 5.703 3.815 ( 0.000 19.340 -2.753) 19.535 5.037 ( 0.000 0.866 -1.127) 1.422 5.137 ( 0.000 5.612 -0.504) 5.634 5.262 ( 0.000 -13.460 5.462) 14.526 5.489 ( 0.000 -3.007 2.175) 3.711 5.713 ( 0.000 3.749 -2.911) 4.746 5.811 ( 0.000 -5.403 8.021) 9.671 6.454 ( 0.000 11.865 5.779) 13.198 6.686 ( 0.000 0.786 -5.377) 5.434 6.794 ( 0.000 12.607 0.118) 12.607 6.821 ( 0.000 -10.479 19.652) 22.271 7.015 ( 0.000 6.421 5.068) 8.180 7.107 ( 0.000 -17.332 -7.328) 18.817 7.183 ( 0.000 10.286 -9.270) 13.847 7.569 ( 0.000 -2.518 0.019) 2.518 7.618 ( 0.000 -4.657 0.214) 4.662 7.864 ( 0.000 -5.709 -0.066) 5.709 8.156 ( 0.000 -11.211 15.357) 19.014 8.413 ( 0.000 -5.157 -3.174) 6.055 8.848 ( 0.000 15.934 -17.912) 23.974 9.508 ( 0.000 2.329 -4.134) 4.745 15.898 ( 0.000 1.384 0.030) 1.385 16.045 ( 0.000 -1.389 -0.046) 1.390 17.229 ( 0.000 1.522 -1.611) 2.216 17.448 ( 0.000 -3.443 -0.082) 3.444 22.685 ( 0.000 1.268 -0.247) 1.292 22.737 ( 0.000 0.299 -0.075) 0.308 26.495 ( 0.000 0.665 -0.077) 0.670 26.583 ( 0.000 -1.573 0.674) 1.711 34.462 ( 0.000 5.308 0.522) 5.334 35.077 ( 0.000 -6.325 0.488) 6.344 37.385 ( 0.000 3.985 2.811) 4.877 38.766 ( 0.000 -23.884 3.704) 24.169======================= Grid point 343 (112/125) =======================q-point: ( 0.11 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 21.932 2.962 5.156) 22.724 2.348 ( -1.340 14.004 13.690) 19.630 2.482 ( -0.992 2.959 -0.359) 3.141 2.735 ( 5.101 -2.549 -1.891) 6.008 2.898 ( 2.380 20.408 -8.417) 22.204 3.044 ( 2.587 1.924 -1.724) 3.656 3.229 ( 10.816 -2.807 -2.591) 11.470 3.541 ( -5.359 7.999 -3.251) 10.162 3.777 ( 23.292 2.676 2.057) 23.535 4.073 ( 18.040 7.079 -1.661) 19.450 5.022 ( -1.563 1.198 -1.280) 2.349 5.130 ( -0.627 3.837 -1.214) 4.073 5.235 ( -2.293 -12.414 6.330) 14.122 5.484 ( -1.002 -5.466 -0.181) 5.560 5.697 ( -1.374 3.760 -2.093) 4.517 5.884 ( 7.260 -3.753 9.710) 12.692 6.368 ( -5.921 11.788 4.485) 13.933 6.676 ( -2.472 1.138 -2.878) 3.961 6.733 ( -5.744 -9.333 15.138) 18.689 6.927 ( 8.585 11.731 2.656) 14.777 6.979 ( -9.560 -11.724 -7.750) 16.997 7.037 ( 2.359 3.081 2.998) 4.903 7.170 ( -0.760 10.072 -7.729) 12.719 7.603 ( 2.768 -2.077 -0.132) 3.463 7.709 ( 6.739 -5.307 2.177) 8.850 7.883 ( 1.201 -8.407 -0.099) 8.493 8.158 ( 0.341 -9.405 14.250) 17.077 8.412 ( -0.040 -6.084 -3.761) 7.153 8.801 ( -4.373 14.939 -18.222) 23.965 9.440 ( -6.608 2.998 -3.325) 7.982 15.945 ( 4.498 1.099 0.001) 4.630 16.085 ( 3.824 -1.589 -0.136) 4.143 17.221 ( -0.697 1.389 -1.576) 2.213 17.415 ( -3.099 -2.988 -0.048) 4.305 22.686 ( 0.033 1.225 -0.206) 1.242 22.734 ( -0.274 0.313 -0.053) 0.419 26.481 ( -1.280 0.619 -0.062) 1.423 26.568 ( -1.507 -1.516 0.628) 2.228 34.572 ( 10.500 5.523 -0.069) 11.864 35.169 ( 8.544 -5.307 0.205) 10.060 37.361 ( -2.028 2.917 2.894) 4.582 38.669 ( -9.492 -22.838 3.878) 25.035======================= Grid point 344 (113/125) =======================q-point: ( 0.22 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( 0.136 12.147 12.179) 17.202 2.472 ( 3.585 6.647 -3.258) 8.225 2.531 ( 15.402 0.781 1.482) 15.493 2.777 ( -0.782 20.309 -8.436) 22.006 2.987 ( 6.925 1.751 0.341) 7.151 3.140 ( 7.694 9.894 -1.938) 12.683 3.456 ( 5.455 -0.670 3.160) 6.340 3.529 ( 9.148 1.173 -3.350) 9.812 4.364 ( 31.304 -0.206 3.710) 31.523 4.446 ( 18.676 5.160 0.263) 19.378 4.978 ( -2.310 2.258 -1.698) 3.649 5.115 ( -0.901 -0.732 -2.190) 2.478 5.200 ( -0.058 -8.778 4.778) 9.994 5.434 ( -4.126 -9.032 -2.144) 10.159 5.655 ( -3.172 3.733 -2.026) 5.301 6.067 ( 7.998 0.504 16.525) 18.366 6.305 ( 2.450 8.239 0.187) 8.598 6.483 ( -12.589 -4.399 13.484) 18.965 6.703 ( -7.364 -3.358 -9.407) 12.409 6.808 ( 1.406 -7.897 -2.769) 8.485 6.999 ( 1.053 5.421 4.693) 7.247 7.140 ( 0.554 10.137 -7.275) 12.490 7.245 ( 12.183 8.304 0.574) 14.755 7.660 ( 2.456 -2.426 0.081) 3.453 7.788 ( -0.105 -6.659 8.923) 11.135 7.895 ( 0.246 -9.229 -1.455) 9.346 8.159 ( -1.131 -2.245 9.031) 9.374 8.407 ( -1.405 -9.381 -7.105) 11.851 8.708 ( -3.485 11.097 -15.296) 19.216 9.270 ( -9.683 4.069 -1.901) 10.674 16.062 ( 6.835 0.368 0.121) 6.846 16.178 ( 5.040 -1.897 -0.353) 5.397 17.207 ( -0.629 1.020 -1.468) 1.895 17.339 ( -4.170 -1.932 -0.158) 4.598 22.687 ( 0.111 1.104 -0.117) 1.116 22.726 ( -0.469 0.360 -0.008) 0.591 26.452 ( -1.452 0.454 -0.038) 1.522 26.529 ( -2.296 -1.327 0.505) 2.700 34.842 ( 15.674 6.177 -1.109) 16.883 35.371 ( 10.400 -2.107 -0.553) 10.625 37.327 ( -0.607 -0.447 3.172) 3.261 38.415 ( -15.309 -20.263 4.175) 25.737======================= Grid point 345 (114/125) =======================q-point: ( 0.33 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( 2.791 12.830 9.077) 15.962 2.524 ( 2.833 6.255 -2.357) 7.260 2.689 ( -1.023 22.405 -2.244) 22.541 2.750 ( -0.388 15.943 -5.712) 16.940 3.157 ( 9.279 -4.516 1.150) 10.383 3.343 ( 10.027 10.153 -1.125) 14.314 3.524 ( 5.316 -0.428 1.419) 5.519 3.760 ( 9.238 -3.235 -0.014) 9.788 4.763 ( 10.859 1.843 4.937) 12.070 4.814 ( 12.219 -4.821 4.845) 14.000 4.991 ( 4.286 4.148 0.393) 5.978 5.091 ( -1.436 -5.260 0.112) 5.454 5.296 ( 2.178 -8.250 1.114) 8.605 5.355 ( 5.902 -6.114 -8.220) 11.823 5.560 ( -6.367 3.375 -2.062) 7.495 6.105 ( -2.197 5.096 9.773) 11.239 6.234 ( -10.518 0.498 14.861) 18.213 6.445 ( -3.538 -2.999 -2.428) 5.236 6.585 ( 9.211 -0.154 0.676) 9.237 6.948 ( 4.775 -2.690 2.154) 5.889 7.068 ( 10.803 1.331 -5.429) 12.164 7.151 ( 1.622 8.369 -3.995) 9.415 7.495 ( 11.636 7.118 0.282) 13.644 7.672 ( -3.168 -5.560 6.537) 9.148 7.738 ( -2.042 -4.463 6.158) 7.875 7.882 ( -1.795 -6.524 -3.353) 7.551 8.093 ( -5.135 5.373 2.745) 7.923 8.283 ( -11.778 -6.218 -12.915) 18.552 8.721 ( 4.413 2.191 -5.730) 7.557 9.088 ( -8.081 3.184 -1.442) 8.805 16.195 ( 6.117 -0.494 0.395) 6.149 16.268 ( 3.601 -1.896 -0.436) 4.093 17.199 ( -0.149 0.525 -1.322) 1.430 17.263 ( -3.195 -0.881 -0.574) 3.364 22.690 ( 0.240 0.934 -0.035) 0.965 22.716 ( -0.544 0.448 0.027) 0.705 26.430 ( -0.669 0.161 -0.001) 0.688 26.483 ( -2.184 -1.008 0.346) 2.430 35.153 ( 14.777 7.042 -1.767) 16.464 35.529 ( 4.665 2.596 -1.387) 5.516 37.365 ( 4.877 -5.637 3.604) 8.279 38.092 ( -16.548 -17.189 4.292) 24.243======================= Grid point 346 (115/125) =======================q-point: ( 0.44 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.440 ( 5.160 13.598 4.989) 15.376 2.538 ( -3.227 6.719 1.336) 7.573 2.660 ( 1.487 29.755 -4.287) 30.099 2.718 ( -2.956 18.367 -3.561) 18.941 3.327 ( 7.266 -3.961 1.347) 8.385 3.420 ( -1.477 -0.436 1.516) 2.161 3.698 ( 9.806 1.278 -0.514) 9.903 3.831 ( -2.330 -1.456 0.121) 2.750 4.889 ( 5.815 -2.114 3.001) 6.877 4.966 ( 0.521 -2.992 7.442) 8.038 5.070 ( 0.108 -7.455 2.565) 7.885 5.090 ( 2.694 4.811 -0.099) 5.515 5.220 ( 1.707 -12.205 -1.406) 12.404 5.386 ( -9.596 2.295 -3.223) 10.379 5.677 ( 15.259 -2.458 -5.122) 16.282 5.940 ( -11.819 -2.813 0.302) 12.153 6.185 ( 3.272 7.697 10.626) 13.523 6.295 ( -7.326 3.438 -0.093) 8.094 6.838 ( 10.150 -3.986 9.584) 14.517 6.953 ( -2.436 -2.759 5.447) 6.574 7.235 ( 7.957 8.299 2.304) 11.726 7.361 ( 6.608 2.423 -2.640) 7.517 7.569 ( 3.174 -4.150 2.132) 5.643 7.681 ( 5.433 -1.238 -0.478) 5.593 7.730 ( -0.517 -5.481 -1.074) 5.610 7.829 ( -5.761 -3.014 -9.641) 11.628 7.971 ( -7.098 2.412 -2.395) 7.870 8.010 ( -9.867 6.074 -4.797) 12.541 8.832 ( 5.992 -0.729 -2.367) 6.484 8.951 ( -6.137 0.578 -1.671) 6.386 16.289 ( 3.026 -1.162 0.359) 3.261 16.312 ( 0.655 -1.603 -0.117) 1.736 17.200 ( 0.355 0.109 -1.205) 1.261 17.217 ( -1.479 -0.239 -1.016) 1.811 22.697 ( 0.386 0.749 0.016) 0.843 22.705 ( -0.504 0.580 0.036) 0.769 26.427 ( 0.424 -0.211 0.075) 0.479 26.446 ( -1.450 -0.615 0.194) 1.587 35.404 ( 10.108 7.427 -1.987) 12.699 35.541 ( -3.431 6.232 -1.877) 7.357 37.523 ( 10.786 -10.525 3.974) 15.585 37.779 ( -14.655 -14.103 4.202) 20.768======================= Grid point 351 (116/125) =======================q-point: ( 0.00 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 0.000 8.288 8.090) 11.582 2.411 ( 0.000 -12.003 5.100) 13.042 2.500 ( 0.000 2.662 10.509) 10.841 2.550 ( 0.000 1.002 1.369) 1.697 3.014 ( 0.000 1.106 -1.807) 2.118 3.113 ( 0.000 -1.559 -6.504) 6.688 3.226 ( 0.000 6.620 -7.005) 9.639 3.539 ( 0.000 -7.280 -5.067) 8.870 3.994 ( 0.000 37.906 0.241) 37.907 4.223 ( 0.000 19.308 -1.443) 19.362 4.958 ( 0.000 -15.154 3.980) 15.668 5.067 ( 0.000 2.096 -0.641) 2.191 5.181 ( 0.000 -1.614 -0.333) 1.648 5.528 ( 0.000 6.434 0.411) 6.447 5.533 ( 0.000 -23.645 2.504) 23.777 5.751 ( 0.000 -0.709 -2.240) 2.350 6.550 ( 0.000 -6.691 10.100) 12.115 6.617 ( 0.000 -3.732 6.646) 7.622 6.702 ( 0.000 6.136 1.000) 6.217 6.916 ( 0.000 -4.133 0.026) 4.133 7.057 ( 0.000 12.308 0.075) 12.308 7.233 ( 0.000 13.663 9.645) 16.724 7.469 ( 0.000 15.363 -12.093) 19.552 7.486 ( 0.000 -7.733 0.090) 7.734 7.550 ( 0.000 0.759 0.114) 0.768 7.733 ( 0.000 -6.540 -0.045) 6.541 7.886 ( 0.000 -14.098 14.151) 19.975 8.180 ( 0.000 -15.115 -9.843) 18.038 9.184 ( 0.000 14.605 -10.087) 17.749 9.524 ( 0.000 -1.593 -4.397) 4.677 15.932 ( 0.000 1.811 0.018) 1.811 16.011 ( 0.000 -1.814 -0.022) 1.815 17.266 ( 0.000 2.086 -1.279) 2.447 17.377 ( 0.000 -3.255 -0.402) 3.279 22.711 ( 0.000 1.170 -0.316) 1.212 22.739 ( 0.000 -0.096 -0.193) 0.215 26.511 ( 0.000 0.830 0.106) 0.837 26.553 ( 0.000 -1.309 0.532) 1.413 34.594 ( 0.000 7.242 0.517) 7.261 34.927 ( 0.000 -7.961 0.499) 7.977 37.530 ( 0.000 10.409 3.406) 10.952 38.261 ( 0.000 -23.565 4.541) 23.999======================= Grid point 352 (117/125) =======================q-point: ( 0.11 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 18.843 6.605 4.776) 20.531 2.476 ( -0.293 2.059 9.197) 9.429 2.517 ( 2.694 -1.014 2.778) 4.001 2.580 ( 7.722 -7.272 1.574) 10.723 3.062 ( 5.555 1.291 -0.845) 5.765 3.149 ( 7.086 -2.754 -3.035) 8.186 3.384 ( 9.829 13.261 -6.214) 17.638 3.621 ( 5.976 -0.527 -4.083) 7.257 4.097 ( 11.436 29.569 0.256) 31.705 4.303 ( 8.398 14.522 -0.939) 16.801 4.936 ( -1.638 -14.620 4.320) 15.332 5.067 ( -0.219 2.379 -0.940) 2.567 5.143 ( -3.462 -3.977 -0.925) 5.353 5.410 ( -5.515 -6.823 -0.362) 8.781 5.704 ( 9.951 -9.031 3.077) 13.786 5.747 ( 0.105 -0.727 -2.399) 2.509 6.504 ( -4.396 -4.842 10.404) 12.289 6.584 ( -4.724 4.431 5.368) 8.412 6.639 ( -1.882 -1.892 1.270) 2.956 6.833 ( -6.926 -2.956 -0.641) 7.557 7.186 ( 2.833 9.034 5.440) 10.920 7.211 ( 5.158 13.676 2.729) 14.869 7.407 ( -3.337 10.979 -6.984) 13.433 7.556 ( 4.340 -6.097 1.384) 7.611 7.630 ( 4.102 1.912 1.404) 4.739 7.718 ( 0.595 -6.607 -2.147) 6.972 7.924 ( 3.764 -12.152 10.139) 16.268 8.179 ( -0.092 -14.328 -9.390) 17.131 9.124 ( -5.732 14.323 -9.918) 18.340 9.462 ( -6.028 -1.510 -4.012) 7.397 15.973 ( 3.939 1.568 0.017) 4.240 16.048 ( 3.552 -1.907 -0.050) 4.032 17.255 ( -1.040 1.880 -1.279) 2.500 17.353 ( -2.237 -2.851 -0.428) 3.649 22.711 ( -0.060 1.125 -0.265) 1.158 22.737 ( -0.226 -0.065 -0.155) 0.282 26.496 ( -1.366 0.808 0.110) 1.591 26.538 ( -1.424 -1.295 0.501) 1.989 34.708 ( 10.959 7.430 0.128) 13.241 35.036 ( 10.374 -7.357 0.316) 12.722 37.486 ( -4.217 9.488 3.414) 10.929 38.183 ( -7.566 -22.709 4.531) 24.361======================= Grid point 353 (118/125) =======================q-point: ( 0.22 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.461 ( 2.900 4.200 4.794) 7.002 2.542 ( 2.879 0.845 1.857) 3.528 2.583 ( 14.514 3.579 0.868) 14.974 2.796 ( 11.595 -6.369 0.070) 13.229 3.253 ( 13.324 3.116 0.996) 13.719 3.380 ( 13.111 -3.562 3.054) 13.925 3.500 ( 2.565 27.113 -4.706) 27.637 3.702 ( 1.810 10.366 -3.088) 10.967 4.410 ( 15.326 5.943 1.893) 16.547 4.545 ( 14.602 4.520 1.425) 15.351 4.941 ( 3.630 -9.772 5.567) 11.818 5.054 ( -1.494 1.130 -2.526) 3.145 5.072 ( -1.715 -6.202 -3.120) 7.152 5.302 ( -5.150 -4.160 -2.860) 7.212 5.724 ( -1.758 2.307 -2.589) 3.888 5.928 ( 9.740 -12.095 3.555) 15.931 6.406 ( -4.002 2.202 12.699) 13.496 6.483 ( -3.591 7.435 1.467) 8.386 6.649 ( -1.322 -5.689 4.402) 7.313 6.703 ( -1.256 -2.092 -1.862) 3.069 7.120 ( -3.599 7.247 2.574) 8.491 7.347 ( -2.004 7.863 -2.083) 8.377 7.421 ( 7.521 4.903 1.518) 9.105 7.600 ( 0.338 -4.320 3.174) 5.371 7.650 ( 2.081 -0.814 2.537) 3.381 7.805 ( 4.393 0.574 -2.742) 5.210 8.032 ( 6.392 -8.755 3.617) 11.428 8.170 ( -0.963 -12.709 -8.167) 15.138 8.976 ( -8.450 12.894 -9.029) 17.865 9.300 ( -9.737 -1.545 -3.327) 10.405 16.075 ( 5.933 0.907 0.093) 6.002 16.137 ( 4.959 -1.969 -0.122) 5.337 17.231 ( -1.207 1.342 -1.269) 2.206 17.299 ( -2.983 -1.890 -0.580) 3.579 22.710 ( -0.057 0.996 -0.151) 1.009 22.731 ( -0.371 0.025 -0.073) 0.379 26.464 ( -1.691 0.680 0.103) 1.826 26.502 ( -2.061 -1.189 0.411) 2.415 34.991 ( 16.499 7.951 -0.575) 18.324 35.296 ( 14.498 -5.215 -0.173) 15.409 37.383 ( -5.427 6.440 3.481) 9.113 37.980 ( -12.270 -20.439 4.463) 24.254======================= Grid point 354 (119/125) =======================q-point: ( 0.33 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 3.827 5.119 4.153) 7.622 2.589 ( 2.180 1.590 0.631) 2.771 2.849 ( 11.550 4.329 -1.436) 12.418 3.032 ( 12.021 -4.968 -0.095) 13.007 3.425 ( -3.755 26.491 1.151) 26.780 3.531 ( 10.679 2.949 -0.002) 11.079 3.631 ( 4.246 12.979 4.437) 14.359 3.741 ( 5.228 6.369 -4.911) 9.592 4.574 ( 3.640 -12.712 4.587) 13.996 4.785 ( 6.187 -9.148 5.673) 12.415 4.964 ( -1.573 -5.083 2.610) 5.927 5.027 ( -0.260 -3.517 -2.970) 4.611 5.163 ( 3.368 4.129 0.381) 5.342 5.312 ( 12.317 -1.147 -9.736) 15.742 5.656 ( -5.290 5.120 -2.902) 7.914 5.982 ( -4.498 -11.199 -0.087) 12.068 6.366 ( -1.345 9.879 11.455) 15.186 6.482 ( -1.411 3.768 5.648) 6.934 6.589 ( 5.066 0.209 4.149) 6.551 6.832 ( 7.260 -8.188 7.229) 13.115 7.105 ( 5.089 3.556 -6.214) 8.784 7.315 ( 0.036 3.822 0.184) 3.827 7.484 ( 0.882 -5.044 1.861) 5.448 7.579 ( -2.161 -4.001 3.237) 5.581 7.753 ( 2.794 6.429 1.680) 7.208 7.853 ( 2.481 3.070 -4.937) 6.321 8.064 ( -4.533 -6.196 -5.445) 9.413 8.186 ( 2.530 -4.549 -1.063) 5.313 8.832 ( -4.768 7.986 -6.620) 11.417 9.101 ( -9.770 -2.161 -2.962) 10.435 16.190 ( 5.241 0.061 0.238) 5.246 16.229 ( 3.900 -1.720 -0.136) 4.265 17.212 ( -0.735 0.685 -1.255) 1.608 17.245 ( -2.274 -0.896 -0.883) 2.599 22.709 ( 0.029 0.804 -0.045) 0.806 22.723 ( -0.396 0.170 -0.001) 0.431 26.435 ( -1.049 0.386 0.089) 1.121 26.462 ( -1.799 -0.912 0.286) 2.037 35.317 ( 15.367 8.401 -1.037) 17.545 35.554 ( 10.159 -0.939 -0.739) 10.229 37.302 ( -1.931 0.704 3.677) 4.212 37.723 ( -13.063 -17.241 4.313) 22.056======================= Grid point 355 (120/125) =======================q-point: ( 0.44 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.594 ( 2.570 4.042 2.191) 5.267 2.616 ( 0.292 2.496 0.870) 2.659 3.059 ( 9.730 9.533 -0.562) 13.633 3.199 ( -0.641 2.132 0.707) 2.336 3.372 ( 4.127 22.224 0.588) 22.612 3.525 ( -7.081 10.627 1.163) 12.823 3.762 ( 6.594 6.593 0.411) 9.334 3.825 ( 0.654 2.648 -0.756) 2.830 4.657 ( 5.334 -17.782 4.778) 19.170 4.767 ( -4.940 -20.480 4.603) 21.565 4.958 ( 0.831 -0.456 2.237) 2.430 4.995 ( -2.621 -1.693 0.714) 3.201 5.298 ( 9.993 8.383 -5.416) 14.123 5.486 ( -6.760 4.453 -5.212) 9.628 5.619 ( 10.650 -1.926 -3.747) 11.453 5.831 ( -9.519 -6.729 -2.547) 11.932 6.359 ( 0.916 8.413 6.585) 10.723 6.405 ( -3.665 5.888 3.803) 7.910 6.764 ( 7.569 -2.892 14.275) 16.414 6.861 ( -2.630 -5.730 11.918) 13.483 7.352 ( 12.493 1.408 -3.372) 13.016 7.414 ( 11.981 1.804 -3.217) 12.536 7.497 ( -0.680 -1.245 3.236) 3.533 7.541 ( 0.531 -6.308 0.224) 6.335 7.666 ( -7.799 -1.134 -4.095) 8.881 7.777 ( -13.613 -4.076 -11.480) 18.267 8.065 ( 6.190 7.531 -0.937) 9.793 8.175 ( -3.735 5.741 -0.395) 6.860 8.819 ( 3.231 0.149 -3.861) 5.036 8.929 ( -7.317 -2.605 -2.955) 8.310 16.268 ( 2.405 -0.673 0.236) 2.508 16.281 ( 1.127 -1.242 0.022) 1.678 17.203 ( -0.050 0.163 -1.245) 1.257 17.212 ( -1.001 -0.247 -1.156) 1.549 22.711 ( 0.169 0.581 0.018) 0.606 22.716 ( -0.312 0.361 0.032) 0.478 26.424 ( -0.028 -0.035 0.105) 0.114 26.434 ( -0.993 -0.497 0.172) 1.123 35.568 ( 9.234 7.708 -1.199) 12.088 35.661 ( 0.275 4.414 -1.116) 4.561 37.329 ( 4.818 -6.775 3.930) 9.196 37.485 ( -10.435 -12.983 4.129) 17.161======================= Grid point 360 (121/125) =======================q-point: ( 0.00 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( 0.000 -11.170 6.886) 13.122 2.166 ( 0.000 11.170 6.886) 13.122 2.542 ( 0.000 -1.456 6.058) 6.230 2.542 ( 0.000 1.456 6.058) 6.230 3.054 ( 0.000 -2.704 -3.990) 4.820 3.054 ( 0.000 2.704 -3.990) 4.820 3.379 ( 0.000 -7.830 -6.031) 9.884 3.379 ( 0.000 7.830 -6.031) 9.884 4.565 ( 0.000 -10.908 0.778) 10.936 4.565 ( 0.000 10.908 0.778) 10.936 4.887 ( 0.000 -31.823 0.338) 31.825 4.887 ( 0.000 31.823 0.338) 31.825 5.123 ( 0.000 -3.120 -0.219) 3.128 5.123 ( 0.000 3.120 -0.219) 3.128 5.676 ( 0.000 -6.210 -1.294) 6.343 5.676 ( 0.000 6.210 -1.294) 6.343 6.527 ( 0.000 -3.222 8.608) 9.192 6.527 ( 0.000 3.222 8.608) 9.192 6.830 ( 0.000 -4.988 1.128) 5.114 6.830 ( 0.000 4.988 1.128) 5.114 7.295 ( 0.000 -10.475 0.083) 10.476 7.295 ( 0.000 10.475 0.083) 10.476 7.540 ( 0.000 -14.455 10.924) 18.118 7.540 ( 0.000 14.455 10.924) 18.118 7.610 ( 0.000 -4.791 0.026) 4.792 7.610 ( 0.000 4.791 0.026) 4.792 7.843 ( 0.000 -15.852 -10.332) 18.921 7.843 ( 0.000 15.852 -10.332) 18.921 9.424 ( 0.000 -8.237 -6.418) 10.443 9.424 ( 0.000 8.237 -6.418) 10.443 15.971 ( 0.000 -1.963 0.000) 1.963 15.971 ( 0.000 1.963 0.000) 1.963 17.316 ( 0.000 -2.653 -0.854) 2.787 17.316 ( 0.000 2.653 -0.854) 2.787 22.731 ( 0.000 -0.688 -0.283) 0.744 22.731 ( 0.000 0.688 -0.283) 0.744 26.529 ( 0.000 -0.995 0.317) 1.045 26.529 ( 0.000 0.995 0.317) 1.045 34.756 ( 0.000 -8.229 0.509) 8.245 34.756 ( 0.000 8.229 0.509) 8.245 37.824 ( 0.000 -17.903 4.141) 18.375 37.824 ( 0.000 17.903 4.141) 18.375======================= Grid point 362 (122/125) =======================q-point: ( 0.11 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 15.439 -9.158 4.796) 18.580 2.350 ( 15.439 9.158 4.797) 18.580 2.526 ( -0.593 -1.495 4.655) 4.925 2.526 ( -0.593 1.495 4.655) 4.925 3.096 ( 6.032 -2.102 -2.071) 6.715 3.096 ( 6.032 2.102 -2.071) 6.715 3.553 ( 14.109 -5.322 -4.645) 15.778 3.553 ( 14.109 5.322 -4.645) 15.778 4.606 ( 3.720 -14.024 1.775) 14.617 4.606 ( 3.720 14.024 1.775) 14.617 4.822 ( -4.951 -29.469 -0.702) 29.890 4.822 ( -4.951 29.469 -0.702) 29.890 5.152 ( 1.853 -6.874 -0.519) 7.138 5.152 ( 1.853 6.874 -0.519) 7.138 5.697 ( 2.356 -3.880 -1.412) 4.754 5.697 ( 2.356 3.880 -1.412) 4.754 6.510 ( -1.280 -4.089 8.641) 9.645 6.510 ( -1.280 4.089 8.641) 9.645 6.750 ( -6.306 -5.477 0.746) 8.386 6.750 ( -6.306 5.477 0.746) 8.386 7.374 ( 3.186 -7.604 4.948) 9.615 7.374 ( 3.186 7.604 4.948) 9.615 7.476 ( -2.570 -6.916 2.010) 7.647 7.476 ( -2.570 6.916 2.010) 7.647 7.662 ( 4.693 -7.427 2.300) 9.082 7.662 ( 4.693 7.427 2.300) 9.082 7.874 ( 2.607 -13.223 -8.423) 15.893 7.874 ( 2.607 13.223 -8.423) 15.893 9.362 ( -6.024 -8.238 -6.183) 11.932 9.362 ( -6.024 8.238 -6.183) 11.932 16.009 ( 3.576 -1.873 0.001) 4.037 16.009 ( 3.576 1.873 0.001) 4.037 17.299 ( -1.541 -2.356 -0.882) 2.950 17.299 ( -1.541 2.356 -0.882) 2.950 22.730 ( -0.150 -0.646 -0.236) 0.704 22.730 ( -0.150 0.646 -0.236) 0.704 26.514 ( -1.401 -0.996 0.305) 1.746 26.514 ( -1.401 0.996 0.305) 1.746 34.872 ( 11.110 -8.147 0.286) 13.780 34.872 ( 11.110 8.147 0.286) 13.780 37.763 ( -5.959 -17.150 4.107) 18.615 37.763 ( -5.959 17.150 4.107) 18.615======================= Grid point 364 (123/125) =======================q-point: ( 0.22 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 2.511 -2.097 3.833) 5.039 2.531 ( 2.511 2.097 3.833) 5.039 2.670 ( 14.065 -5.188 -0.123) 14.992 2.670 ( 14.065 5.188 -0.123) 14.992 3.310 ( 14.141 -2.899 1.551) 14.518 3.310 ( 14.141 2.899 1.551) 14.518 3.816 ( 10.454 -2.276 -2.066) 10.896 3.816 ( 10.454 2.276 -2.066) 10.896 4.598 ( -6.513 -4.640 2.339) 8.332 4.598 ( -6.513 4.640 2.339) 8.332 4.837 ( 8.084 -6.578 0.014) 10.422 4.837 ( 8.084 6.578 0.014) 10.422 5.177 ( 1.298 -7.157 -3.040) 7.884 5.177 ( 1.298 7.157 -3.040) 7.884 5.763 ( 3.368 -2.937 -1.617) 4.752 5.763 ( 3.368 2.937 -1.617) 4.752 6.511 ( 2.560 -6.480 9.717) 11.957 6.511 ( 2.560 6.480 9.717) 11.957 6.626 ( -5.696 -5.484 0.853) 7.953 6.626 ( -5.696 5.484 0.853) 7.953 7.298 ( -6.127 -9.109 4.033) 11.695 7.298 ( -6.127 9.109 4.033) 11.695 7.503 ( 1.140 -5.596 1.137) 5.823 7.503 ( 1.140 5.596 1.137) 5.823 7.820 ( 10.340 -11.423 0.220) 15.409 7.820 ( 10.340 11.423 0.220) 15.409 7.919 ( 1.482 -9.908 -6.097) 11.728 7.919 ( 1.482 9.908 -6.097) 11.728 9.200 ( -9.798 -8.085 -5.585) 13.877 9.200 ( -9.798 8.085 -5.585) 13.877 16.100 ( 5.245 -1.541 0.021) 5.466 16.100 ( 5.245 1.541 0.021) 5.466 17.262 ( -1.982 -1.619 -0.974) 2.738 17.262 ( -1.982 1.619 -0.974) 2.738 22.726 ( -0.226 -0.527 -0.129) 0.587 22.726 ( -0.226 0.527 -0.129) 0.587 26.480 ( -1.884 -0.915 0.260) 2.111 26.480 ( -1.884 0.915 0.260) 2.111 35.158 ( 16.532 -7.724 -0.180) 18.249 35.158 ( 16.532 7.724 -0.180) 18.249 37.606 ( -9.286 -14.872 4.026) 17.989 37.606 ( -9.286 14.872 4.026) 17.989======================= Grid point 366 (124/125) =======================q-point: ( 0.33 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.592 ( 3.179 -1.434 2.467) 4.272 2.592 ( 3.179 1.434 2.467) 4.272 2.933 ( 12.794 -4.262 -0.973) 13.520 2.933 ( 12.794 4.262 -0.973) 13.520 3.564 ( 9.136 -2.215 2.977) 9.860 3.564 ( 9.136 2.215 2.977) 9.860 3.950 ( 3.671 -0.787 -0.490) 3.786 3.950 ( 3.671 0.787 -0.490) 3.786 4.453 ( -6.290 -10.600 1.165) 12.381 4.453 ( -6.290 10.600 1.165) 12.381 4.966 ( 2.370 -2.243 3.991) 5.156 4.966 ( 2.370 2.243 3.991) 5.156 5.267 ( 8.581 -3.851 -6.970) 11.707 5.267 ( 8.581 3.851 -6.970) 11.707 5.780 ( -2.349 -7.514 -2.041) 8.132 5.780 ( -2.349 7.514 -2.041) 8.132 6.526 ( -3.569 -2.224 0.851) 4.291 6.526 ( -3.569 2.224 0.851) 4.291 6.640 ( 8.326 -8.210 15.144) 19.133 6.640 ( 8.326 8.210 15.144) 19.133 7.225 ( 0.660 -7.479 -2.742) 7.993 7.225 ( 0.660 7.479 -2.742) 7.993 7.505 ( -0.467 -3.478 2.176) 4.129 7.505 ( -0.467 3.478 2.176) 4.129 7.872 ( -4.968 -5.002 -5.468) 8.922 7.872 ( -4.968 5.002 -5.468) 8.922 8.050 ( 9.807 -7.150 -0.333) 12.141 8.050 ( 9.807 7.150 -0.333) 12.141 9.001 ( -9.440 -7.157 -4.806) 12.785 9.001 ( -9.440 7.157 -4.806) 12.785 16.200 ( 4.453 -0.956 0.075) 4.555 16.200 ( 4.453 0.956 0.075) 4.555 17.227 ( -1.444 -0.802 -1.118) 1.995 17.227 ( -1.444 0.802 -1.118) 1.995 22.721 ( -0.195 -0.343 -0.029) 0.396 22.721 ( -0.195 0.343 -0.029) 0.396 26.446 ( -1.428 -0.653 0.189) 1.582 26.446 ( -1.428 0.653 0.189) 1.582 35.477 ( 14.358 -6.254 -0.579) 15.672 35.477 ( 14.358 6.254 -0.579) 15.672 37.422 ( -8.557 -10.770 3.961) 14.314 37.422 ( -8.557 10.770 3.961) 14.314======================= Grid point 368 (125/125) =======================q-point: ( 0.44 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( 1.320 -0.449 1.434) 2.000 2.639 ( 1.320 0.449 1.434) 2.000 3.156 ( 7.938 -2.680 0.931) 8.430 3.156 ( 7.938 2.680 0.931) 8.430 3.634 ( -0.767 -2.018 1.070) 2.410 3.634 ( -0.767 2.018 1.070) 2.410 3.986 ( 0.476 -0.659 0.544) 0.978 3.986 ( 0.476 0.659 0.544) 0.978 4.385 ( -0.895 -4.365 1.859) 4.828 4.385 ( -0.895 4.365 1.859) 4.828 4.970 ( -0.527 -0.975 2.388) 2.632 4.970 ( -0.526 0.975 2.388) 2.632 5.453 ( 8.160 -6.022 -6.267) 11.922 5.453 ( 8.160 6.022 -6.267) 11.922 5.687 ( -5.707 -6.643 -2.196) 9.029 5.687 ( -5.707 6.643 -2.196) 9.029 6.477 ( -1.251 -0.953 0.775) 1.753 6.477 ( -1.251 0.953 0.775) 1.753 6.751 ( 2.017 -3.023 19.664) 19.997 6.751 ( 2.017 3.023 19.664) 19.997 7.373 ( 12.238 -2.568 -4.576) 13.315 7.373 ( 12.238 2.568 -4.576) 13.315 7.500 ( 0.899 -0.075 0.816) 1.216 7.500 ( 0.899 0.076 0.816) 1.216 7.692 ( -12.561 -3.350 -7.274) 14.897 7.692 ( -12.561 3.350 -7.274) 14.897 8.197 ( 4.262 -3.646 -0.054) 5.609 8.197 ( 4.262 3.646 -0.054) 5.609 8.859 ( -4.098 -3.425 -4.160) 6.770 8.859 ( -4.098 3.425 -4.160) 6.770 16.264 ( 1.736 -0.308 0.131) 1.768 16.264 ( 1.736 0.308 0.131) 1.768 17.207 ( -0.513 -0.212 -1.237) 1.356 17.207 ( -0.513 0.212 -1.237) 1.356 22.719 ( -0.076 -0.119 0.025) 0.144 22.719 ( -0.076 0.119 0.025) 0.144 26.426 ( -0.511 -0.236 0.137) 0.580 26.426 ( -0.511 0.236 0.137) 0.580 35.685 ( 5.750 -2.604 -0.804) 6.363 35.685 ( 5.750 2.604 -0.804) 6.363 37.295 ( -3.592 -4.139 3.959) 6.760 37.295 ( -3.592 4.139 3.959) 6.760=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27216 10.0 420.156 375.011 564.727 0.000 0.000 0.000 3/27216 20.0 142.057 92.554 103.288 0.000 0.000 0.000 3/27216 30.0 62.825 41.209 41.940 0.000 0.000 0.000 3/27216 40.0 34.323 24.116 23.097 0.000 0.000 0.000 3/27216 50.0 22.162 16.279 15.049 0.000 0.000 0.000 3/27216 60.0 15.927 12.049 10.914 0.000 0.000 0.000 3/27216 70.0 12.304 9.506 8.508 0.000 0.000 0.000 3/27216 80.0 9.999 7.848 6.972 0.000 0.000 0.000 3/27216 90.0 8.426 6.695 5.919 0.000 0.000 0.000 3/27216 100.0 7.293 5.850 5.156 0.000 0.000 0.000 3/27216 110.0 6.440 5.206 4.578 0.000 0.000 0.000 3/27216 120.0 5.775 4.697 4.124 0.000 0.000 0.000 3/27216 130.0 5.241 4.285 3.758 0.000 0.000 0.000 3/27216 140.0 4.803 3.943 3.455 0.000 0.000 0.000 3/27216 150.0 4.437 3.655 3.201 0.000 0.000 0.000 3/27216 160.0 4.125 3.408 2.983 0.000 0.000 0.000 3/27216 170.0 3.857 3.193 2.795 0.000 0.000 0.000 3/27216 180.0 3.623 3.005 2.630 0.000 0.000 0.000 3/27216 190.0 3.417 2.839 2.484 0.000 0.000 0.000 3/27216 200.0 3.234 2.691 2.355 0.000 0.000 0.000 3/27216 210.0 3.071 2.558 2.239 0.000 0.000 0.000 3/27216 220.0 2.925 2.438 2.135 0.000 0.000 0.000 3/27216 230.0 2.792 2.330 2.040 0.000 0.000 0.000 3/27216 240.0 2.672 2.231 1.954 0.000 0.000 0.000 3/27216 250.0 2.562 2.140 1.875 0.000 0.000 0.000 3/27216 260.0 2.461 2.057 1.802 0.000 0.000 0.000 3/27216 270.0 2.369 1.980 1.736 0.000 0.000 0.000 3/27216 280.0 2.283 1.909 1.674 0.000 0.000 0.000 3/27216 290.0 2.204 1.844 1.617 0.000 0.000 0.000 3/27216 300.0 2.131 1.783 1.564 0.000 0.000 0.000 3/27216 310.0 2.062 1.726 1.515 0.000 0.000 0.000 3/27216 320.0 1.998 1.673 1.469 0.000 0.000 0.000 3/27216 330.0 1.939 1.623 1.426 0.000 0.000 0.000 3/27216 340.0 1.883 1.576 1.386 0.000 0.000 0.000 3/27216 350.0 1.830 1.533 1.348 0.000 0.000 0.000 3/27216 360.0 1.781 1.491 1.312 0.000 0.000 0.000 3/27216 370.0 1.734 1.452 1.279 0.000 0.000 0.000 3/27216 380.0 1.690 1.416 1.247 0.000 0.000 0.000 3/27216 390.0 1.649 1.381 1.217 0.000 0.000 0.000 3/27216 400.0 1.609 1.348 1.188 0.000 0.000 0.000 3/27216 410.0 1.572 1.316 1.161 0.000 0.000 0.000 3/27216 420.0 1.536 1.287 1.136 0.000 0.000 0.000 3/27216 430.0 1.502 1.258 1.111 0.000 0.000 0.000 3/27216 440.0 1.470 1.231 1.088 0.000 0.000 0.000 3/27216 450.0 1.439 1.205 1.066 0.000 0.000 0.000 3/27216 460.0 1.410 1.181 1.045 0.000 0.000 0.000 3/27216 470.0 1.382 1.157 1.025 0.000 0.000 0.000 3/27216 480.0 1.355 1.135 1.005 0.000 0.000 0.000 3/27216 490.0 1.329 1.113 0.987 0.000 0.000 0.000 3/27216 500.0 1.304 1.092 0.969 0.000 0.000 0.000 3/27216 510.0 1.281 1.073 0.952 0.000 0.000 0.000 3/27216 520.0 1.258 1.053 0.935 0.000 0.000 0.000 3/27216 530.0 1.236 1.035 0.920 0.000 0.000 0.000 3/27216 540.0 1.215 1.017 0.904 0.000 0.000 0.000 3/27216 550.0 1.195 1.000 0.890 0.000 0.000 0.000 3/27216 560.0 1.175 0.984 0.876 0.000 0.000 0.000 3/27216 570.0 1.156 0.968 0.862 0.000 0.000 0.000 3/27216 580.0 1.138 0.953 0.849 0.000 0.000 0.000 3/27216 590.0 1.120 0.938 0.836 0.000 0.000 0.000 3/27216 600.0 1.103 0.923 0.824 0.000 0.000 0.000 3/27216 610.0 1.087 0.910 0.812 0.000 0.000 0.000 3/27216 620.0 1.071 0.896 0.800 0.000 0.000 0.000 3/27216 630.0 1.055 0.883 0.789 0.000 0.000 0.000 3/27216 640.0 1.040 0.871 0.779 0.000 0.000 0.000 3/27216 650.0 1.026 0.858 0.768 0.000 0.000 0.000 3/27216 660.0 1.012 0.847 0.758 0.000 0.000 0.000 3/27216 670.0 0.998 0.835 0.748 0.000 0.000 0.000 3/27216 680.0 0.985 0.824 0.738 0.000 0.000 0.000 3/27216 690.0 0.972 0.813 0.729 0.000 0.000 0.000 3/27216 700.0 0.959 0.803 0.720 0.000 0.000 0.000 3/27216 710.0 0.947 0.792 0.711 0.000 0.000 0.000 3/27216 720.0 0.935 0.782 0.703 0.000 0.000 0.000 3/27216 730.0 0.924 0.773 0.694 0.000 0.000 0.000 3/27216 740.0 0.912 0.763 0.686 0.000 0.000 0.000 3/27216 750.0 0.901 0.754 0.678 0.000 0.000 0.000 3/27216 760.0 0.891 0.745 0.671 0.000 0.000 0.000 3/27216 770.0 0.880 0.736 0.663 0.000 0.000 0.000 3/27216 780.0 0.870 0.728 0.656 0.000 0.000 0.000 3/27216 790.0 0.860 0.719 0.648 0.000 0.000 0.000 3/27216 800.0 0.851 0.711 0.641 0.000 0.000 0.000 3/27216 810.0 0.841 0.703 0.635 0.000 0.000 0.000 3/27216 820.0 0.832 0.695 0.628 0.000 0.000 0.000 3/27216 830.0 0.823 0.688 0.621 0.000 0.000 0.000 3/27216 840.0 0.814 0.680 0.615 0.000 0.000 0.000 3/27216 850.0 0.806 0.673 0.609 0.000 0.000 0.000 3/27216 860.0 0.797 0.666 0.603 0.000 0.000 0.000 3/27216 870.0 0.789 0.659 0.597 0.000 0.000 0.000 3/27216 880.0 0.781 0.652 0.591 0.000 0.000 0.000 3/27216 890.0 0.773 0.646 0.585 0.000 0.000 0.000 3/27216 900.0 0.765 0.639 0.580 0.000 0.000 0.000 3/27216 910.0 0.758 0.633 0.574 0.000 0.000 0.000 3/27216 920.0 0.750 0.627 0.569 0.000 0.000 0.000 3/27216 930.0 0.743 0.621 0.564 0.000 0.000 0.000 3/27216 940.0 0.736 0.615 0.558 0.000 0.000 0.000 3/27216 950.0 0.729 0.609 0.553 0.000 0.000 0.000 3/27216 960.0 0.722 0.603 0.548 0.000 0.000 0.000 3/27216 970.0 0.716 0.597 0.544 0.000 0.000 0.000 3/27216 980.0 0.709 0.592 0.539 0.000 0.000 0.000 3/27216 990.0 0.703 0.586 0.534 0.000 0.000 0.000 3/27216 1000.0 0.696 0.581 0.530 0.000 0.000 0.000 3/27216Thermal conductivity related properties were written into "kappa-m989.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:50:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|